N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C24H26F3N7O — CID 129103441

IUPACN-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC[C@H]1CCN(c2ccc(Cn3cc(C(=O)N[C@@H]4CCc5nc(N)ccc54)c(C(F)(F)F)n3)cn2)C1
InChIInChI=1S/C24H26F3N7O/c1-14-8-9-33(11-14)21-7-2-15(10-29-21)12-34-13-17(22(32-34)24(25,26)27)23(35)31-19-5-4-18-16(19)3-6-20(28)30-18/h2-3,6-7,10,13-14,19H,4-5,8-9,11-12H2,1H3,(H2,28,30)(H,31,35)/t14-,19+/m0/s1
InChIKeyIYWOLFDPAKKHGW-IFXJQAMLSA-N
MW485.51 g/mol
LogP3.59
Rot. Bonds5

About N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 129103441) has the molecular formula C24H26F3N7O and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID129103441
Molecular FormulaC24H26F3N7O
Molecular Weight485.51 g/mol
Exact Mass485.22
IUPAC NameN-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC[C@H]1CCN(c2ccc(Cn3cc(C(=O)N[C@@H]4CCc5nc(N)ccc54)c(C(F)(F)F)n3)cn2)C1
InChIInChI=1S/C24H26F3N7O/c1-14-8-9-33(11-14)21-7-2-15(10-29-21)12-34-13-17(22(32-34)24(25,26)27)23(35)31-19-5-4-18-16(19)3-6-20(28)30-18/h2-3,6-7,10,13-14,19H,4-5,8-9,11-12H2,1H3,(H2,28,30)(H,31,35)/t14-,19+/m0/s1
InChIKeyIYWOLFDPAKKHGW-IFXJQAMLSA-N
XLogP3.59
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 129103441) is N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is C[C@H]1CCN(c2ccc(Cn3cc(C(=O)N[C@@H]4CCc5nc(N)ccc54)c(C(F)(F)F)n3)cn2)C1.
What is the InChIKey of N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is IYWOLFDPAKKHGW-IFXJQAMLSA-N. The full InChI is InChI=1S/C24H26F3N7O/c1-14-8-9-33(11-14)21-7-2-15(10-29-21)12-34-13-17(22(32-34)24(25,26)27)23(35)31-19-5-4-18-16(19)3-6-20(28)30-18/h2-3,6-7,10,13-14,19H,4-5,8-9,11-12H2,1H3,(H2,28,30)(H,31,35)/t14-,19+/m0/s1.
What are the key properties of N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 129103441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).