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

C25H26N6O2 — CID 129097184

IUPACN-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1cc2c(cn1)CCC2NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1
InChIInChI=1S/C25H26N6O2/c26-23-8-20-17(9-27-23)5-6-22(20)29-24(32)19-10-28-31(14-19)12-16-3-1-15(2-4-16)11-30-13-18-7-21(18)25(30)33/h1-4,8-10,14,18,21-22H,5-7,11-13H2,(H2,26,27)(H,29,32)
InChIKeyVOWSIXADPKQDQQ-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.30
Rot. Bonds6

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

N-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 129097184) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID129097184
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1cc2c(cn1)CCC2NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1
InChIInChI=1S/C25H26N6O2/c26-23-8-20-17(9-27-23)5-6-22(20)29-24(32)19-10-28-31(14-19)12-16-3-1-15(2-4-16)11-30-13-18-7-21(18)25(30)33/h1-4,8-10,14,18,21-22H,5-7,11-13H2,(H2,26,27)(H,29,32)
InChIKeyVOWSIXADPKQDQQ-UHFFFAOYSA-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-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(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-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 129097184) is N-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is Nc1cc2c(cn1)CCC2NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1.
What is the InChIKey of N-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is VOWSIXADPKQDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c26-23-8-20-17(9-27-23)5-6-22(20)29-24(32)19-10-28-31(14-19)12-16-3-1-15(2-4-16)11-30-13-18-7-21(18)25(30)33/h1-4,8-10,14,18,21-22H,5-7,11-13H2,(H2,26,27)(H,29,32).
What are the key properties of N-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
N-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(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-(3-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129097184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).