2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine

C91H77N23O7S3 — CID 159337375

IUPAC2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine
SMILESCC(=O)Nc1ccc(Oc2cc(Nc3cc(C)[nH]n3)ccn2)cc1.COc1cccc(Oc2cc3ccccc3c(Nc3n[nH]c4ccccc34)n2)c1.Cc1cc(Nc2cccc(Oc3ccc4ncsc4c3)n2)n[nH]1.c1cc(Nc2cc(C3CC3)[nH]n2)cc(Oc2ccc3ncsc3c2)n1.c1csc(COc2cc(Nc3n[nH]c4ccccc34)ccn2)c1
InChIInChI=1S/C23H18N4O2.C18H15N5OS.C17H17N5O2.C17H14N4OS.C16H13N5OS/c1-28-16-8-6-9-17(14-16)29-21-13-15-7-2-3-10-18(15)22(24-21)25-23-19-11-4-5-12-20(19)26-27-23;1-2-11(1)15-9-17(23-22-15)21-12-5-6-19-18(7-12)24-13-3-4-14-16(8-13)25-10-20-14;1-11-9-16(22-21-11)20-14-7-8-18-17(10-14)24-15-5-3-13(4-6-15)19-12(2)23;1-2-6-15-14(5-1)17(21-20-15)19-12-7-8-18-16(10-12)22-11-13-4-3-9-23-13;1-10-7-15(21-20-10)18-14-3-2-4-16(19-14)22-11-5-6-12-13(8-11)23-9-17-12/h2-14H,1H3,(H2,24,25,26,27);3-11H,1-2H2,(H2,19,21,22,23);3-10H,1-2H3,(H,19,23)(H2,18,20,21,22);1-10H,11H2,(H2,18,19,20,21);2-9H,1H3,(H2,18,19,20,21)
InChIKeyLFSFRVZPEONNDX-UHFFFAOYSA-N
MW1700.97 g/mol
LogP22.69
Rot. Bonds24

About 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine

2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine (PubChem CID 159337375) has the molecular formula C91H77N23O7S3 and a molecular weight of 1700.97 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine
PubChem CID159337375
Molecular FormulaC91H77N23O7S3
Molecular Weight1700.97 g/mol
Exact Mass1699.55
IUPAC Name2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine
SMILESCC(=O)Nc1ccc(Oc2cc(Nc3cc(C)[nH]n3)ccn2)cc1.COc1cccc(Oc2cc3ccccc3c(Nc3n[nH]c4ccccc34)n2)c1.Cc1cc(Nc2cccc(Oc3ccc4ncsc4c3)n2)n[nH]1.c1cc(Nc2cc(C3CC3)[nH]n2)cc(Oc2ccc3ncsc3c2)n1.c1csc(COc2cc(Nc3n[nH]c4ccccc34)ccn2)c1
InChIInChI=1S/C23H18N4O2.C18H15N5OS.C17H17N5O2.C17H14N4OS.C16H13N5OS/c1-28-16-8-6-9-17(14-16)29-21-13-15-7-2-3-10-18(15)22(24-21)25-23-19-11-4-5-12-20(19)26-27-23;1-2-11(1)15-9-17(23-22-15)21-12-5-6-19-18(7-12)24-13-3-4-14-16(8-13)25-10-20-14;1-11-9-16(22-21-11)20-14-7-8-18-17(10-14)24-15-5-3-13(4-6-15)19-12(2)23;1-2-6-15-14(5-1)17(21-20-15)19-12-7-8-18-16(10-12)22-11-13-4-3-9-23-13;1-10-7-15(21-20-10)18-14-3-2-4-16(19-14)22-11-5-6-12-13(8-11)23-9-17-12/h2-14H,1H3,(H2,24,25,26,27);3-11H,1-2H2,(H2,19,21,22,23);3-10H,1-2H3,(H,19,23)(H2,18,20,21,22);1-10H,11H2,(H2,18,19,20,21);2-9H,1H3,(H2,18,19,20,21)
InChIKeyLFSFRVZPEONNDX-UHFFFAOYSA-N
XLogP22.69
TPSA378.26 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001700.97
LogP ≤ 522.69
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine with MolForge

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Related Compounds

2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinolin-4-amine;3-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;N-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]acetamide;N-(1H-indazol-3-yl)-2-(thiophen-2-ylmethoxy)quinolin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxyphenyl]acetamide
CID 159591652
2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide
CID 160626567
2-(1,3-benzothiazol-6-ylsulfanyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenyl)sulfanylisoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]phenyl]acetamide;N-[2-(thiophen-2-ylmethylsulfanyl)-4-pyridinyl]-1H-indazol-3-amine
CID 161960209

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine (CID 159337375) is 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine is CC(=O)Nc1ccc(Oc2cc(Nc3cc(C)[nH]n3)ccn2)cc1.COc1cccc(Oc2cc3ccccc3c(Nc3n[nH]c4ccccc34)n2)c1.Cc1cc(Nc2cccc(Oc3ccc4ncsc4c3)n2)n[nH]1.c1cc(Nc2cc(C3CC3)[nH]n2)cc(Oc2ccc3ncsc3c2)n1.c1csc(COc2cc(Nc3n[nH]c4ccccc34)ccn2)c1.
What is the InChIKey of 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine?
The InChIKey is LFSFRVZPEONNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2.C18H15N5OS.C17H17N5O2.C17H14N4OS.C16H13N5OS/c1-28-16-8-6-9-17(14-16)29-21-13-15-7-2-3-10-18(15)22(24-21)25-23-19-11-4-5-12-20(19)26-27-23;1-2-11(1)15-9-17(23-22-15)21-12-5-6-19-18(7-12)24-13-3-4-14-16(8-13)25-10-20-14;1-11-9-16(22-21-11)20-14-7-8-18-17(10-14)24-15-5-3-13(4-6-15)19-12(2)23;1-2-6-15-14(5-1)17(21-20-15)19-12-7-8-18-16(10-12)22-11-13-4-3-9-23-13;1-10-7-15(21-20-10)18-14-3-2-4-16(19-14)22-11-5-6-12-13(8-11)23-9-17-12/h2-14H,1H3,(H2,24,25,26,27);3-11H,1-2H2,(H2,19,21,22,23);3-10H,1-2H3,(H,19,23)(H2,18,20,21,22);1-10H,11H2,(H2,18,19,20,21);2-9H,1H3,(H2,18,19,20,21).
What are the key properties of 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine?
2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine has a molecular weight of 1700.97 g/mol, XLogP of 22.69, 24 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-6-yloxy)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-4-amine;6-(1,3-benzothiazol-6-yloxy)-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine;N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine;N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]phenyl]acetamide;N-[2-(thiophen-2-ylmethoxy)-4-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 159337375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).