1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide

C21H23N5O — CID 118383862

IUPAC1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(C2CC2)c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C21H23N5O/c22-21(27)20-18-10-15(3-6-19(18)26(24-20)17-4-5-17)16-9-14(11-23-12-16)13-25-7-1-2-8-25/h3,6,9-12,17H,1-2,4-5,7-8,13H2,(H2,22,27)
InChIKeyHWWUNPHIKCITOH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.13
Rot. Bonds5

About 1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide

1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide (PubChem CID 118383862) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
PubChem CID118383862
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(C2CC2)c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C21H23N5O/c22-21(27)20-18-10-15(3-6-19(18)26(24-20)17-4-5-17)16-9-14(11-23-12-16)13-25-7-1-2-8-25/h3,6,9-12,17H,1-2,4-5,7-8,13H2,(H2,22,27)
InChIKeyHWWUNPHIKCITOH-UHFFFAOYSA-N
XLogP3.13
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide
CID 175327408
1-cyclobutyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]indazole-3-carboxamide
CID 174835336
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381235
1-cyclopropyl-5-(2-methylpyrimidin-5-yl)indazole-3-carboxamide
CID 162459699
7-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydroisoquinoline-1-carboxamide
CID 123910750
1-benzyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]indazole-3-carboxamide
CID 150574501
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]indazole-3-carboxylic acid
CID 175285285
N-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 138586383
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
CID 118381641
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]indazole-3-carboxylic acid
CID 174835308
2-(1-prop-2-ynylpiperidin-4-yl)-1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethanone
CID 123243314
N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381544

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide (CID 118383862) is 1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide is NC(=O)c1nn(C2CC2)c2ccc(-c3cncc(CN4CCCC4)c3)cc12.
What is the InChIKey of 1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
The InChIKey is HWWUNPHIKCITOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-21(27)20-18-10-15(3-6-19(18)26(24-20)17-4-5-17)16-9-14(11-23-12-16)13-25-7-1-2-8-25/h3,6,9-12,17H,1-2,4-5,7-8,13H2,(H2,22,27).
What are the key properties of 1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide?
1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 118383862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).