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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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).