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

C19H20N4O — CID 44549648

IUPAC2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CN4CCCC4)cc3)nc12
InChIInChI=1S/C19H20N4O/c20-19(24)17-5-3-4-15-13-23(21-18(15)17)16-8-6-14(7-9-16)12-22-10-1-2-11-22/h3-9,13H,1-2,10-12H2,(H2,20,24)
InChIKeyJBNCIIQHUOMGMC-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.72
Rot. Bonds4

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

2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide (PubChem CID 44549648) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide
PubChem CID44549648
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CN4CCCC4)cc3)nc12
InChIInChI=1S/C19H20N4O/c20-19(24)17-5-3-4-15-13-23(21-18(15)17)16-8-6-14(7-9-16)12-22-10-1-2-11-22/h3-9,13H,1-2,10-12H2,(H2,20,24)
InChIKeyJBNCIIQHUOMGMC-UHFFFAOYSA-N
XLogP2.72
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide (CID 44549648) is 2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(CN4CCCC4)cc3)nc12.
What is the InChIKey of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide?
The InChIKey is JBNCIIQHUOMGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-19(24)17-5-3-4-15-13-23(21-18(15)17)16-8-6-14(7-9-16)12-22-10-1-2-11-22/h3-9,13H,1-2,10-12H2,(H2,20,24).
What are the key properties of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide?
2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrrolidin-1-ylmethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 44549648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).