6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one

C25H25F5N4O2 — CID 138750760

IUPAC6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)C3CCCO3)c2)c2cn(C3(C(F)F)CC3)c(=O)c(F)c2n1
InChIInChI=1S/C25H25F5N4O2/c1-13(15-5-3-6-16(11-15)25(29,30)18-7-4-10-36-18)31-21-17-12-34(24(8-9-24)23(27)28)22(35)19(26)20(17)32-14(2)33-21/h3,5-6,11-13,18,23H,4,7-10H2,1-2H3,(H,31,32,33)/t13-,18?/m1/s1
InChIKeyVUGHUHODOMWWDI-YJJYDOSJSA-N
MW508.49 g/mol
LogP5.44
Rot. Bonds7

About 6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one

6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one (PubChem CID 138750760) has the molecular formula C25H25F5N4O2 and a molecular weight of 508.49 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one
PubChem CID138750760
Molecular FormulaC25H25F5N4O2
Molecular Weight508.49 g/mol
Exact Mass508.19
IUPAC Name6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)C3CCCO3)c2)c2cn(C3(C(F)F)CC3)c(=O)c(F)c2n1
InChIInChI=1S/C25H25F5N4O2/c1-13(15-5-3-6-16(11-15)25(29,30)18-7-4-10-36-18)31-21-17-12-34(24(8-9-24)23(27)28)22(35)19(26)20(17)32-14(2)33-21/h3,5-6,11-13,18,23H,4,7-10H2,1-2H3,(H,31,32,33)/t13-,18?/m1/s1
InChIKeyVUGHUHODOMWWDI-YJJYDOSJSA-N
XLogP5.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one with MolForge

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Related Compounds

US10829487, Example I-61
CID 138750556
US10829487, Example I-130
CID 138751034
US10829487, Example I-40
CID 138750522
US10829487, Example I-36
CID 138750559
US10829487, Example I-97
CID 138750561
US10829487, Example I-32
CID 138750566
US10829487, Example I-100
CID 138750567
US10829487, Example I-10
CID 138750568
US10829487, Example I-72
CID 138750571
US10829487, Example I-38
CID 138750572
US10829487, Example I-52
CID 138750573
US10829487, Example I-87
CID 138750586

Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one (CID 138750760) is 6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one is Cc1nc(N[C@H](C)c2cccc(C(F)(F)C3CCCO3)c2)c2cn(C3(C(F)F)CC3)c(=O)c(F)c2n1.
What is the InChIKey of 6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one?
The InChIKey is VUGHUHODOMWWDI-YJJYDOSJSA-N. The full InChI is InChI=1S/C25H25F5N4O2/c1-13(15-5-3-6-16(11-15)25(29,30)18-7-4-10-36-18)31-21-17-12-34(24(8-9-24)23(27)28)22(35)19(26)20(17)32-14(2)33-21/h3,5-6,11-13,18,23H,4,7-10H2,1-2H3,(H,31,32,33)/t13-,18?/m1/s1.
What are the key properties of 6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one?
6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one has a molecular weight of 508.49 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-[difluoro(oxolan-2-yl)methyl]phenyl]ethyl]amino]-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 138750760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).