N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

C24H24F3N7O — CID 129097198

IUPACN-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESNc1nccc2c1CC[C@H]2NC(=O)c1cnn(Cc2cnc(N3CC4CC4C3)cc2C(F)(F)F)c1
InChIInChI=1S/C24H24F3N7O/c25-24(26,27)19-6-21(33-9-13-5-14(13)10-33)30-7-15(19)11-34-12-16(8-31-34)23(35)32-20-2-1-18-17(20)3-4-29-22(18)28/h3-4,6-8,12-14,20H,1-2,5,9-11H2,(H2,28,29)(H,32,35)/t13?,14?,20-/m1/s1
InChIKeyGTOCHHQZFTUKJZ-RUZSNYSVSA-N
MW483.50 g/mol
LogP3.20
Rot. Bonds5

About N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 129097198) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID129097198
Molecular FormulaC24H24F3N7O
Molecular Weight483.50 g/mol
Exact Mass483.20
IUPAC NameN-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESNc1nccc2c1CC[C@H]2NC(=O)c1cnn(Cc2cnc(N3CC4CC4C3)cc2C(F)(F)F)c1
InChIInChI=1S/C24H24F3N7O/c25-24(26,27)19-6-21(33-9-13-5-14(13)10-33)30-7-15(19)11-34-12-16(8-31-34)23(35)32-20-2-1-18-17(20)3-4-29-22(18)28/h3-4,6-8,12-14,20H,1-2,5,9-11H2,(H2,28,29)(H,32,35)/t13?,14?,20-/m1/s1
InChIKeyGTOCHHQZFTUKJZ-RUZSNYSVSA-N
XLogP3.20
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (CID 129097198) is N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is Nc1nccc2c1CC[C@H]2NC(=O)c1cnn(Cc2cnc(N3CC4CC4C3)cc2C(F)(F)F)c1.
What is the InChIKey of N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is GTOCHHQZFTUKJZ-RUZSNYSVSA-N. The full InChI is InChI=1S/C24H24F3N7O/c25-24(26,27)19-6-21(33-9-13-5-14(13)10-33)30-7-15(19)11-34-12-16(8-31-34)23(35)32-20-2-1-18-17(20)3-4-29-22(18)28/h3-4,6-8,12-14,20H,1-2,5,9-11H2,(H2,28,29)(H,32,35)/t13?,14?,20-/m1/s1.
What are the key properties of N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129097198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).