N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide

C25H23F2N7O2 — CID 169231222

About N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide

N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 169231222) has the molecular formula C25H23F2N7O2 and a molecular weight of 491.50 g/mol. Its IUPAC name is N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
• PubChem CID: 169231222
• Molecular Formula: C25H23F2N7O2
• Molecular Weight: 491.50 g/mol
• Exact Mass: 491.19
• IUPAC Name: N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
• SMILES: COc1cc2ncnc(-c3cn(C)nc3-c3ccc(F)cc3F)c2nc1NC(=O)C12CC1CN(C)C2
• InChI: InChI=1S/C25H23F2N7O2/c1-33-9-13-8-25(13,11-33)24(35)31-23-19(36-3)7-18-22(30-23)21(29-12-28-18)16-10-34(2)32-20(16)15-5-4-14(26)6-17(15)27/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,30,31,35)
• InChIKey: GDVAIORWGFTJAE-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.50
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide?

The IUPAC name of N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide (CID 169231222) is N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide.

What is the SMILES notation for N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide?

The canonical SMILES for N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccc(F)cc3F)c2nc1NC(=O)C12CC1CN(C)C2.

What is the InChIKey of N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide?

The InChIKey is GDVAIORWGFTJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O2/c1-33-9-13-8-25(13,11-33)24(35)31-23-19(36-3)7-18-22(30-23)21(29-12-28-18)16-10-34(2)32-20(16)15-5-4-14(26)6-17(15)27/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,30,31,35).

What are the key properties of N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide?

N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 491.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 169231222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).