N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide

C25H26N6O2 — CID 129097183

IUPACN-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1ccc2c(n1)CC[C@H]2NC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)c1
InChIInChI=1S/C25H26N6O2/c26-23-8-5-19-21(28-23)6-7-22(19)29-24(32)18-10-27-31(14-18)12-16-3-1-15(2-4-16)11-30-13-17-9-20(17)25(30)33/h1-5,8,10,14,17,20,22H,6-7,9,11-13H2,(H2,26,28)(H,29,32)/t17-,20-,22+/m0/s1
InChIKeyUKFOCTYPPZETEM-RBDMOPTHSA-N
MW442.52 g/mol
LogP2.30
Rot. Bonds6

About N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide

N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 129097183) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID129097183
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1ccc2c(n1)CC[C@H]2NC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)c1
InChIInChI=1S/C25H26N6O2/c26-23-8-5-19-21(28-23)6-7-22(19)29-24(32)18-10-27-31(14-18)12-16-3-1-15(2-4-16)11-30-13-17-9-20(17)25(30)33/h1-5,8,10,14,17,20,22H,6-7,9,11-13H2,(H2,26,28)(H,29,32)/t17-,20-,22+/m0/s1
InChIKeyUKFOCTYPPZETEM-RBDMOPTHSA-N
XLogP2.30
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]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-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 129097183) is N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide is Nc1ccc2c(n1)CC[C@H]2NC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)c1.
What is the InChIKey of N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is UKFOCTYPPZETEM-RBDMOPTHSA-N. The full InChI is InChI=1S/C25H26N6O2/c26-23-8-5-19-21(28-23)6-7-22(19)29-24(32)18-10-27-31(14-18)12-16-3-1-15(2-4-16)11-30-13-17-9-20(17)25(30)33/h1-5,8,10,14,17,20,22H,6-7,9,11-13H2,(H2,26,28)(H,29,32)/t17-,20-,22+/m0/s1.
What are the key properties of N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide?
N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129097183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).