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

C23H25F2N9O — CID 140932733

IUPACN-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide
SMILESCc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cn(Cc2cnc(N3CC4C(C3)C4(F)F)nc2C)nn1
InChIInChI=1S/C23H25F2N9O/c1-11-5-15-14(20(26)28-11)3-4-18(15)30-21(35)19-10-34(32-31-19)7-13-6-27-22(29-12(13)2)33-8-16-17(9-33)23(16,24)25/h5-6,10,16-18H,3-4,7-9H2,1-2H3,(H2,26,28)(H,30,35)/t16?,17?,18-/m1/s1
InChIKeyNSWDPISSURGUOV-DAWZGUTISA-N
MW481.51 g/mol
LogP1.83
Rot. Bonds5

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

N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide (PubChem CID 140932733) has the molecular formula C23H25F2N9O and a molecular weight of 481.51 g/mol. Its IUPAC name is N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide
PubChem CID140932733
Molecular FormulaC23H25F2N9O
Molecular Weight481.51 g/mol
Exact Mass481.22
IUPAC NameN-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide
SMILESCc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cn(Cc2cnc(N3CC4C(C3)C4(F)F)nc2C)nn1
InChIInChI=1S/C23H25F2N9O/c1-11-5-15-14(20(26)28-11)3-4-18(15)30-21(35)19-10-34(32-31-19)7-13-6-27-22(29-12(13)2)33-8-16-17(9-33)23(16,24)25/h5-6,10,16-18H,3-4,7-9H2,1-2H3,(H2,26,28)(H,30,35)/t16?,17?,18-/m1/s1
InChIKeyNSWDPISSURGUOV-DAWZGUTISA-N
XLogP1.83
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-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-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide (CID 140932733) is N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide is Cc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cn(Cc2cnc(N3CC4C(C3)C4(F)F)nc2C)nn1.
What is the InChIKey of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide?
The InChIKey is NSWDPISSURGUOV-DAWZGUTISA-N. The full InChI is InChI=1S/C23H25F2N9O/c1-11-5-15-14(20(26)28-11)3-4-18(15)30-21(35)19-10-34(32-31-19)7-13-6-27-22(29-12(13)2)33-8-16-17(9-33)23(16,24)25/h5-6,10,16-18H,3-4,7-9H2,1-2H3,(H2,26,28)(H,30,35)/t16?,17?,18-/m1/s1.
What are the key properties of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide?
N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide has a molecular weight of 481.51 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 140932733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).