1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide

C23H21ClN4O2 — CID 166984495

IUPAC1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)nc1
InChIInChI=1S/C23H21ClN4O2/c1-30-19-11-10-18(26-14-19)12-13-25-23(29)22-20-4-2-3-5-21(20)28(27-22)15-16-6-8-17(24)9-7-16/h2-11,14H,12-13,15H2,1H3,(H,25,29)
InChIKeyKIMZPEGKHYMKSA-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.11
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide (PubChem CID 166984495) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide
PubChem CID166984495
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)nc1
InChIInChI=1S/C23H21ClN4O2/c1-30-19-11-10-18(26-14-19)12-13-25-23(29)22-20-4-2-3-5-21(20)28(27-22)15-16-6-8-17(24)9-7-16/h2-11,14H,12-13,15H2,1H3,(H,25,29)
InChIKeyKIMZPEGKHYMKSA-UHFFFAOYSA-N
XLogP4.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
CID 139209093
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-methoxypyridine-3-carboxamide
CID 56669839
4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162677266
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799
{4-[({[5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl]carbonyl}amino) methyl]piperidin-1-yl}acetic acid
CID 71714669
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(5-methoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777949
(2S)-2-[[1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carbonyl]amino]-2-cyclohexylacetic acid
CID 90644385
1-[[1-(7-Chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 90644391
Src Inhibitor 3
CID 139600340
N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 146254727
2-chloro-6-methoxy-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide
CID 22978067
5-(2-chloro-5-methoxy-4-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 89601657

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide (CID 166984495) is 1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide is COc1ccc(CCNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)nc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide?
The InChIKey is KIMZPEGKHYMKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-30-19-11-10-18(26-14-19)12-13-25-23(29)22-20-4-2-3-5-21(20)28(27-22)15-16-6-8-17(24)9-7-16/h2-11,14H,12-13,15H2,1H3,(H,25,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-2-pyridinyl)ethyl]indazole-3-carboxamide is sourced from PubChem (CID 166984495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).