N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide

C28H30N8O3 — CID 71267252

IUPACN-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCOCCN(C)CC(c1cccnc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cncc(OC)c4)ccc23)cn1
InChIInChI=1S/C28H30N8O3/c1-35(9-10-38-2)18-26(20-5-4-8-29-13-20)36-17-22(15-31-36)32-28(37)27-24-7-6-19(12-25(24)33-34-27)21-11-23(39-3)16-30-14-21/h4-8,11-17,26H,9-10,18H2,1-3H3,(H,32,37)(H,33,34)
InChIKeyXVYQEAUFSMTMMZ-UHFFFAOYSA-N
MW526.60 g/mol
LogP3.64
Rot. Bonds11

About N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide

N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 71267252) has the molecular formula C28H30N8O3 and a molecular weight of 526.60 g/mol. Its IUPAC name is N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID71267252
Molecular FormulaC28H30N8O3
Molecular Weight526.60 g/mol
Exact Mass526.24
IUPAC NameN-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCOCCN(C)CC(c1cccnc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cncc(OC)c4)ccc23)cn1
InChIInChI=1S/C28H30N8O3/c1-35(9-10-38-2)18-26(20-5-4-8-29-13-20)36-17-22(15-31-36)32-28(37)27-24-7-6-19(12-25(24)33-34-27)21-11-23(39-3)16-30-14-21/h4-8,11-17,26H,9-10,18H2,1-3H3,(H,32,37)(H,33,34)
InChIKeyXVYQEAUFSMTMMZ-UHFFFAOYSA-N
XLogP3.64
TPSA123.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.60
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1-propan-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267344
N-[1-[3-[acetyl(methyl)amino]-1-phenylpropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267378
N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037346
N-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 74983355
3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
CID 159252837
6,6-dimethyl-N-[1-[oxan-4-yl(pyridin-3-yl)methyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[oxan-4-yl(pyridin-3-yl)methyl]pyrazol-4-amine
CID 159867358
6,6-dimethyl-N-[1-[(1-oxothian-4-yl)-pyridin-3-ylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90036819
N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 123936431
N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450552
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123214472
1-[3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-amine;N-[1-[3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
CID 160942325
N-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267356

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 71267252) is N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide is COCCN(C)CC(c1cccnc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cncc(OC)c4)ccc23)cn1.
What is the InChIKey of N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is XVYQEAUFSMTMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O3/c1-35(9-10-38-2)18-26(20-5-4-8-29-13-20)36-17-22(15-31-36)32-28(37)27-24-7-6-19(12-25(24)33-34-27)21-11-23(39-3)16-30-14-21/h4-8,11-17,26H,9-10,18H2,1-3H3,(H,32,37)(H,33,34).
What are the key properties of N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 526.60 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 71267252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).