1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea

C93H90Cl4N34O5 — CID 161418447

IUPAC1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea
SMILESCN1CC(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.Cc1ccc(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cn1ccc(-c2nc(N)c(NC(=O)NC3CCOCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C25H21ClN8O.C23H24ClN9O.C23H23ClN8O2.C22H22ClN9O/c1-14-5-7-17(8-6-14)29-25(35)32-24-23(27)30-22(19-9-11-34(2)33-19)21(31-24)16-12-15-4-3-10-28-20(15)18(26)13-16;1-32-8-5-15(12-32)27-23(34)30-22-21(25)28-20(17-6-9-33(2)31-17)19(29-22)14-10-13-4-3-7-26-18(13)16(24)11-14;1-32-8-4-17(31-32)20-19(14-11-13-3-2-7-26-18(13)16(24)12-14)29-22(21(25)28-20)30-23(33)27-15-5-9-34-10-6-15;1-31-10-14(11-31)26-22(33)29-21-20(24)27-19(16-5-7-32(2)30-16)18(28-21)13-8-12-4-3-6-25-17(12)15(23)9-13/h3-13H,1-2H3,(H2,27,30)(H2,29,31,32,35);3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,25,28)(H2,27,29,30,34);2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H2,25,28)(H2,27,29,30,33);3-9,14H,10-11H2,1-2H3,(H2,24,27)(H2,26,28,29,33)
InChIKeyVWKGVWZFOGSFHL-UHFFFAOYSA-N
MW1905.79 g/mol
LogP14.83
Rot. Bonds16

About 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea

1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea (PubChem CID 161418447) has the molecular formula C93H90Cl4N34O5 and a molecular weight of 1905.79 g/mol. Its IUPAC name is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea
PubChem CID161418447
Molecular FormulaC93H90Cl4N34O5
Molecular Weight1905.79 g/mol
Exact Mass1902.66
IUPAC Name1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea
SMILESCN1CC(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.Cc1ccc(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cn1ccc(-c2nc(N)c(NC(=O)NC3CCOCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C25H21ClN8O.C23H24ClN9O.C23H23ClN8O2.C22H22ClN9O/c1-14-5-7-17(8-6-14)29-25(35)32-24-23(27)30-22(19-9-11-34(2)33-19)21(31-24)16-12-15-4-3-10-28-20(15)18(26)13-16;1-32-8-5-15(12-32)27-23(34)30-22-21(25)28-20(17-6-9-33(2)31-17)19(29-22)14-10-13-4-3-7-26-18(13)16(24)11-14;1-32-8-4-17(31-32)20-19(14-11-13-3-2-7-26-18(13)16(24)12-14)29-22(21(25)28-20)30-23(33)27-15-5-9-34-10-6-15;1-31-10-14(11-31)26-22(33)29-21-20(24)27-19(16-5-7-32(2)30-16)18(28-21)13-8-12-4-3-6-25-17(12)15(23)9-13/h3-13H,1-2H3,(H2,27,30)(H2,29,31,32,35);3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,25,28)(H2,27,29,30,34);2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H2,25,28)(H2,27,29,30,33);3-9,14H,10-11H2,1-2H3,(H2,24,27)(H2,26,28,29,33)
InChIKeyVWKGVWZFOGSFHL-UHFFFAOYSA-N
XLogP14.83
TPSA510.27 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001905.79
LogP ≤ 514.83
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea with MolForge

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Launch Full Analysis

Related Compounds

3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 159115619
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine
CID 159161212
5-(8-chloroquinolin-6-yl)-3-N-[(4-methylpiperazin-1-yl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 160202825
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 137431130
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea
CID 137431211
tert-butyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 157156330
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 157173723
6-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-(oxan-4-ylamino)pyrazine-2-carbonitrile;6-(4-chloronaphthalen-2-yl)-3-(cyclopropylamino)-5-phenylpyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(oxan-4-ylamino)pyrazine-2-carbonitrile
CID 157221319
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[2-(diethylamino)ethyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide
CID 157312784
3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 157383580
1-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]piperidin-4-ol;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclobutylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
CID 157504615
1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(cyclohexylmethyl)urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopropylurea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea
CID 157542824

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea (CID 161418447) is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea is CN1CC(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CCC(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.Cc1ccc(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cn1ccc(-c2nc(N)c(NC(=O)NC3CCOCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea?
The InChIKey is VWKGVWZFOGSFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN8O.C23H24ClN9O.C23H23ClN8O2.C22H22ClN9O/c1-14-5-7-17(8-6-14)29-25(35)32-24-23(27)30-22(19-9-11-34(2)33-19)21(31-24)16-12-15-4-3-10-28-20(15)18(26)13-16;1-32-8-5-15(12-32)27-23(34)30-22-21(25)28-20(17-6-9-33(2)31-17)19(29-22)14-10-13-4-3-7-26-18(13)16(24)11-14;1-32-8-4-17(31-32)20-19(14-11-13-3-2-7-26-18(13)16(24)12-14)29-22(21(25)28-20)30-23(33)27-15-5-9-34-10-6-15;1-31-10-14(11-31)26-22(33)29-21-20(24)27-19(16-5-7-32(2)30-16)18(28-21)13-8-12-4-3-6-25-17(12)15(23)9-13/h3-13H,1-2H3,(H2,27,30)(H2,29,31,32,35);3-4,6-7,9-11,15H,5,8,12H2,1-2H3,(H2,25,28)(H2,27,29,30,34);2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H2,25,28)(H2,27,29,30,33);3-9,14H,10-11H2,1-2H3,(H2,24,27)(H2,26,28,29,33).
What are the key properties of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea?
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea has a molecular weight of 1905.79 g/mol, XLogP of 14.83, 16 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylazetidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 161418447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).