ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate

C26H23ClN8O3 — CID 137430651

IUPACethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate
SMILESCCOC(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccn(C)n3)nc2N)cc1
InChIInChI=1S/C26H23ClN8O3/c1-3-38-26(37)15-6-4-14(5-7-15)10-20(36)30-25-24(28)31-23(19-8-9-35(2)34-19)22(32-25)16-11-17-13-29-33-21(17)18(27)12-16/h4-9,11-13H,3,10H2,1-2H3,(H2,28,31)(H,29,33)(H,30,32,36)
InChIKeyPQSOLZPYUVBZHS-UHFFFAOYSA-N
MW530.98 g/mol
LogP4.01
Rot. Bonds7

About ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate

ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate (PubChem CID 137430651) has the molecular formula C26H23ClN8O3 and a molecular weight of 530.98 g/mol. Its IUPAC name is ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate
PubChem CID137430651
Molecular FormulaC26H23ClN8O3
Molecular Weight530.98 g/mol
Exact Mass530.16
IUPAC Nameethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate
SMILESCCOC(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccn(C)n3)nc2N)cc1
InChIInChI=1S/C26H23ClN8O3/c1-3-38-26(37)15-6-4-14(5-7-15)10-20(36)30-25-24(28)31-23(19-8-9-35(2)34-19)22(32-25)16-11-17-13-29-33-21(17)18(27)12-16/h4-9,11-13H,3,10H2,1-2H3,(H2,28,31)(H,29,33)(H,30,32,36)
InChIKeyPQSOLZPYUVBZHS-UHFFFAOYSA-N
XLogP4.01
TPSA153.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.98
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate with MolForge

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Related Compounds

oxan-4-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137431670
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one
CID 137430714
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-5-phenylpyrazine-2-carboxamide
CID 137431590
3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
CID 137431293
ethyl 6-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-2-oxoethyl]pyridine-3-carboxylate
CID 137431029
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 154604721
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide
CID 137430935
(1-methylpyrrol-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 137430553
(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 137430996
5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine
CID 137430857
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine
CID 137431300
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine
CID 137431040

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate?
The IUPAC name of ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate (CID 137430651) is ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate.
What is the SMILES notation for ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate?
The canonical SMILES for ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate is CCOC(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccn(C)n3)nc2N)cc1.
What is the InChIKey of ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate?
The InChIKey is PQSOLZPYUVBZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN8O3/c1-3-38-26(37)15-6-4-14(5-7-15)10-20(36)30-25-24(28)31-23(19-8-9-35(2)34-19)22(32-25)16-11-17-13-29-33-21(17)18(27)12-16/h4-9,11-13H,3,10H2,1-2H3,(H2,28,31)(H,29,33)(H,30,32,36).
What are the key properties of ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate?
ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate has a molecular weight of 530.98 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate is sourced from PubChem (CID 137430651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).