N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide

C24H25BrN6O — CID 158143436

IUPACN-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide
SMILESN[C@@H]1CCCN(c2c(Br)cnc3c2C(NC(=O)c2cnn(Cc4ccccc4)c2)=CC3)C1
InChIInChI=1S/C24H25BrN6O/c25-19-12-27-20-8-9-21(22(20)23(19)30-10-4-7-18(26)15-30)29-24(32)17-11-28-31(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,9,11-12,14,18H,4,7-8,10,13,15,26H2,(H,29,32)/t18-/m1/s1
InChIKeyTWGQBWOYEIWJQF-GOSISDBHSA-N
MW493.41 g/mol
LogP3.34
Rot. Bonds5

About N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide

N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide (PubChem CID 158143436) has the molecular formula C24H25BrN6O and a molecular weight of 493.41 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide
PubChem CID158143436
Molecular FormulaC24H25BrN6O
Molecular Weight493.41 g/mol
Exact Mass492.13
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide
SMILESN[C@@H]1CCCN(c2c(Br)cnc3c2C(NC(=O)c2cnn(Cc4ccccc4)c2)=CC3)C1
InChIInChI=1S/C24H25BrN6O/c25-19-12-27-20-8-9-21(22(20)23(19)30-10-4-7-18(26)15-30)29-24(32)17-11-28-31(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,9,11-12,14,18H,4,7-8,10,13,15,26H2,(H,29,32)/t18-/m1/s1
InChIKeyTWGQBWOYEIWJQF-GOSISDBHSA-N
XLogP3.34
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10889564, Example 37
CID 129104746
N-(1-benzylpiperidin-4-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 16339345
5-(4-bromo-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]pyridine-2-carboxamide
CID 155515456
6-(4-bromo-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]pyridine-3-carboxamide
CID 155559701
(E)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 145984905
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(2-pyridin-3-ylethyl)prop-2-enamide
CID 145990799
1-[3-(4-Bromo-pyridin-2-yl)-1-(2,4-difluoro-benzyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
CID 71533245
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 2104308
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 9414677
1-(3-Fluorophenyl)-5-(piperidin-4-YL)-N-[(pyridin-3-YL)methyl]-1H-pyrazole-4-carboxamide
CID 20924214
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 42992537
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 45764123

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide (CID 158143436) is N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide is N[C@@H]1CCCN(c2c(Br)cnc3c2C(NC(=O)c2cnn(Cc4ccccc4)c2)=CC3)C1.
What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide?
The InChIKey is TWGQBWOYEIWJQF-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25BrN6O/c25-19-12-27-20-8-9-21(22(20)23(19)30-10-4-7-18(26)15-30)29-24(32)17-11-28-31(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,9,11-12,14,18H,4,7-8,10,13,15,26H2,(H,29,32)/t18-/m1/s1.
What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide?
N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide has a molecular weight of 493.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide is sourced from PubChem (CID 158143436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).