2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide

C20H22N4O — CID 44549649

IUPAC2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CN4CCCCC4)cc3)nc12
InChIInChI=1S/C20H22N4O/c21-20(25)18-6-4-5-16-14-24(22-19(16)18)17-9-7-15(8-10-17)13-23-11-2-1-3-12-23/h4-10,14H,1-3,11-13H2,(H2,21,25)
InChIKeyPSBQYDNLNHNFAH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.11
Rot. Bonds4

About 2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide

2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide (PubChem CID 44549649) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide
PubChem CID44549649
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CN4CCCCC4)cc3)nc12
InChIInChI=1S/C20H22N4O/c21-20(25)18-6-4-5-16-14-24(22-19(16)18)17-9-7-15(8-10-17)13-23-11-2-1-3-12-23/h4-10,14H,1-3,11-13H2,(H2,21,25)
InChIKeyPSBQYDNLNHNFAH-UHFFFAOYSA-N
XLogP3.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide (CID 44549649) is 2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(CN4CCCCC4)cc3)nc12.
What is the InChIKey of 2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide?
The InChIKey is PSBQYDNLNHNFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-20(25)18-6-4-5-16-14-24(22-19(16)18)17-9-7-15(8-10-17)13-23-11-2-1-3-12-23/h4-10,14H,1-3,11-13H2,(H2,21,25).
What are the key properties of 2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide?
2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-1-ylmethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 44549649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).