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

C25H27F2N7O — CID 135362185

IUPACN-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C)c1
InChIInChI=1S/C25H27F2N7O/c1-13-7-18-17(23(28)30-13)4-5-21(18)32-24(35)16-8-29-34(10-16)9-15-3-6-22(31-14(15)2)33-11-19-20(12-33)25(19,26)27/h3,6-8,10,19-21H,4-5,9,11-12H2,1-2H3,(H2,28,30)(H,32,35)/t19?,20?,21-/m1/s1
InChIKeyRBEJFEBBRUQTOB-XVAXZDLZSA-N
MW479.54 g/mol
LogP3.04
Rot. Bonds5

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

N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 135362185) has the molecular formula C25H27F2N7O and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID135362185
Molecular FormulaC25H27F2N7O
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC NameN-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C)c1
InChIInChI=1S/C25H27F2N7O/c1-13-7-18-17(23(28)30-13)4-5-21(18)32-24(35)16-8-29-34(10-16)9-15-3-6-22(31-14(15)2)33-11-19-20(12-33)25(19,26)27/h3,6-8,10,19-21H,4-5,9,11-12H2,1-2H3,(H2,28,30)(H,32,35)/t19?,20?,21-/m1/s1
InChIKeyRBEJFEBBRUQTOB-XVAXZDLZSA-N
XLogP3.04
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide (CID 135362185) is N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide is Cc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C)c1.
What is the InChIKey of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is RBEJFEBBRUQTOB-XVAXZDLZSA-N. The full InChI is InChI=1S/C25H27F2N7O/c1-13-7-18-17(23(28)30-13)4-5-21(18)32-24(35)16-8-29-34(10-16)9-15-3-6-22(31-14(15)2)33-11-19-20(12-33)25(19,26)27/h3,6-8,10,19-21H,4-5,9,11-12H2,1-2H3,(H2,28,30)(H,32,35)/t19?,20?,21-/m1/s1.
What are the key properties of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide?
N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 3.04, 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-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 135362185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).