N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide

C31H32F2N6O2 — CID 118382035

IUPACN-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cc(CN5CCCCC5)cc(F)c4F)cc23)cn1
InChIInChI=1S/C31H32F2N6O2/c32-25-15-19(18-39-12-4-1-5-13-39)14-23(28(25)33)20-8-10-26-24(16-20)29(38-37-26)31(41)36-22-9-11-27(34-17-22)30(40)35-21-6-2-3-7-21/h8-11,14-17,21H,1-7,12-13,18H2,(H,35,40)(H,36,41)(H,37,38)
InChIKeySVJSDONNTPODLI-UHFFFAOYSA-N
MW558.63 g/mol
LogP5.81
Rot. Bonds7

About N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide

N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 118382035) has the molecular formula C31H32F2N6O2 and a molecular weight of 558.63 g/mol. Its IUPAC name is N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID118382035
Molecular FormulaC31H32F2N6O2
Molecular Weight558.63 g/mol
Exact Mass558.26
IUPAC NameN-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cc(CN5CCCCC5)cc(F)c4F)cc23)cn1
InChIInChI=1S/C31H32F2N6O2/c32-25-15-19(18-39-12-4-1-5-13-39)14-23(28(25)33)20-8-10-26-24(16-20)29(38-37-26)31(41)36-22-9-11-27(34-17-22)30(40)35-21-6-2-3-7-21/h8-11,14-17,21H,1-7,12-13,18H2,(H,35,40)(H,36,41)(H,37,38)
InChIKeySVJSDONNTPODLI-UHFFFAOYSA-N
XLogP5.81
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.63
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (CID 118382035) is N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is O=C(NC1CCCC1)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cc(CN5CCCCC5)cc(F)c4F)cc23)cn1.
What is the InChIKey of N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is SVJSDONNTPODLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N6O2/c32-25-15-19(18-39-12-4-1-5-13-39)14-23(28(25)33)20-8-10-26-24(16-20)29(38-37-26)31(41)36-22-9-11-27(34-17-22)30(40)35-21-6-2-3-7-21/h8-11,14-17,21H,1-7,12-13,18H2,(H,35,40)(H,36,41)(H,37,38).
What are the key properties of N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 558.63 g/mol, XLogP of 5.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).