N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide

C24H25FN8O — CID 54755403

IUPACN-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide
SMILESN[C@@H]1CCCN(c2c(F)cccc2NC(=O)c2ncc(-c3cnn(Cc4ccccn4)c3)[nH]2)C1
InChIInChI=1S/C24H25FN8O/c25-19-7-3-8-20(22(19)32-10-4-5-17(26)14-32)31-24(34)23-28-12-21(30-23)16-11-29-33(13-16)15-18-6-1-2-9-27-18/h1-3,6-9,11-13,17H,4-5,10,14-15,26H2,(H,28,30)(H,31,34)/t17-/m1/s1
InChIKeyNRLPWJVSHCVXLQ-QGZVFWFLSA-N
MW460.52 g/mol
LogP3.04
Rot. Bonds6

About N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide

N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide (PubChem CID 54755403) has the molecular formula C24H25FN8O and a molecular weight of 460.52 g/mol. Its IUPAC name is N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide
PubChem CID54755403
Molecular FormulaC24H25FN8O
Molecular Weight460.52 g/mol
Exact Mass460.21
IUPAC NameN-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide
SMILESN[C@@H]1CCCN(c2c(F)cccc2NC(=O)c2ncc(-c3cnn(Cc4ccccn4)c3)[nH]2)C1
InChIInChI=1S/C24H25FN8O/c25-19-7-3-8-20(22(19)32-10-4-5-17(26)14-32)31-24(34)23-28-12-21(30-23)16-11-29-33(13-16)15-18-6-1-2-9-27-18/h1-3,6-9,11-13,17H,4-5,10,14-15,26H2,(H,28,30)(H,31,34)/t17-/m1/s1
InChIKeyNRLPWJVSHCVXLQ-QGZVFWFLSA-N
XLogP3.04
TPSA117.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide
CID 54755655
N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-pyrrole-2-carboxamide
CID 159923854
N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide
CID 54756015
4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-amine;1-(pyridin-2-ylmethyl)pyrazole-4-carboxylic acid
CID 172837747
N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 123906017
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide
CID 71677957
1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N-methylpiperidine-4-carboxamide
CID 54756253
1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide
CID 89456317
N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide
CID 54756128
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 71679468
N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
CID 170647838
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 71678631

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide (CID 54755403) is N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide is N[C@@H]1CCCN(c2c(F)cccc2NC(=O)c2ncc(-c3cnn(Cc4ccccn4)c3)[nH]2)C1.
What is the InChIKey of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide?
The InChIKey is NRLPWJVSHCVXLQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25FN8O/c25-19-7-3-8-20(22(19)32-10-4-5-17(26)14-32)31-24(34)23-28-12-21(30-23)16-11-29-33(13-16)15-18-6-1-2-9-27-18/h1-3,6-9,11-13,17H,4-5,10,14-15,26H2,(H,28,30)(H,31,34)/t17-/m1/s1.
What are the key properties of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide?
N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide has a molecular weight of 460.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 54755403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).