(5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C26H35F2N7O — CID 67976766

About (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67976766) has the molecular formula C26H35F2N7O and a molecular weight of 499.61 g/mol. Its IUPAC name is (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 67976766
• Molecular Formula: C26H35F2N7O
• Molecular Weight: 499.61 g/mol
• Exact Mass: 499.29
• IUPAC Name: (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC1(c2cn(CCN3CCCC3)c(C3CCN(c4ncnc5c4[C@H](C(F)F)CC(=O)N5)CC3)n2)CC1
• InChI: InChI=1S/C26H35F2N7O/c1-26(6-7-26)19-15-35(13-12-33-8-2-3-9-33)24(31-19)17-4-10-34(11-5-17)25-21-18(22(27)28)14-20(36)32-23(21)29-16-30-25/h15-18,22H,2-14H2,1H3,(H,29,30,32,36)/t18-/m1/s1
• InChIKey: SLIUWDRKGWULLA-GOSISDBHSA-N
• XLogP: 3.90
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67976766) is (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC1(c2cn(CCN3CCCC3)c(C3CCN(c4ncnc5c4[C@H](C(F)F)CC(=O)N5)CC3)n2)CC1.

What is the InChIKey of (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SLIUWDRKGWULLA-GOSISDBHSA-N. The full InChI is InChI=1S/C26H35F2N7O/c1-26(6-7-26)19-15-35(13-12-33-8-2-3-9-33)24(31-19)17-4-10-34(11-5-17)25-21-18(22(27)28)14-20(36)32-23(21)29-16-30-25/h15-18,22H,2-14H2,1H3,(H,29,30,32,36)/t18-/m1/s1.

What are the key properties of (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

(5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 499.61 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(difluoromethyl)-4-[4-[4-(1-methylcyclopropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67976766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).