N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C27H27N7O2 — CID 89458581

IUPACN-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C27H27N7O2/c35-26(18-3-4-18)30-23-7-8-28-15-24(23)31-27(36)25-21-12-19(5-6-22(21)32-33-25)20-11-17(13-29-14-20)16-34-9-1-2-10-34/h5-8,11-15,18H,1-4,9-10,16H2,(H,31,36)(H,32,33)(H,28,30,35)
InChIKeyHAEPJFWPFUJCSS-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89458581) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89458581
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC NameN-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C27H27N7O2/c35-26(18-3-4-18)30-23-7-8-28-15-24(23)31-27(36)25-21-12-19(5-6-22(21)32-33-25)20-11-17(13-29-14-20)16-34-9-1-2-10-34/h5-8,11-15,18H,1-4,9-10,16H2,(H,31,36)(H,32,33)(H,28,30,35)
InChIKeyHAEPJFWPFUJCSS-UHFFFAOYSA-N
XLogP4.22
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458576
N-[4-(3-methylbutylamino)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118383850
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 89450524
N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 123718021
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382129
N-[2-(azetidin-1-yl)-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381971
N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 162174622
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382339
ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555502
5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458778
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381235
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382515

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89458581) is N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cnccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is HAEPJFWPFUJCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c35-26(18-3-4-18)30-23-7-8-28-15-24(23)31-27(36)25-21-12-19(5-6-22(21)32-33-25)20-11-17(13-29-14-20)16-34-9-1-2-10-34/h5-8,11-15,18H,1-4,9-10,16H2,(H,31,36)(H,32,33)(H,28,30,35).
What are the key properties of N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89458581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).