4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one

C22H24F3N5O — CID 167432604

IUPAC4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cn(N3CCCCC3)c(=O)cc2n1
InChIInChI=1S/C22H24F3N5O/c1-13(15-7-6-8-16(20(15)23)21(24)25)26-22-17-12-30(29-9-4-3-5-10-29)19(31)11-18(17)27-14(2)28-22/h6-8,11-13,21H,3-5,9-10H2,1-2H3,(H,26,27,28)/t13-/m1/s1
InChIKeyKISYLQFXOBSQMX-CYBMUJFWSA-N
MW431.46 g/mol
LogP4.47
Rot. Bonds5

About 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one

4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one (PubChem CID 167432604) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one
PubChem CID167432604
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Name4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cn(N3CCCCC3)c(=O)cc2n1
InChIInChI=1S/C22H24F3N5O/c1-13(15-7-6-8-16(20(15)23)21(24)25)26-22-17-12-30(29-9-4-3-5-10-29)19(31)11-18(17)27-14(2)28-22/h6-8,11-13,21H,3-5,9-10H2,1-2H3,(H,26,27,28)/t13-/m1/s1
InChIKeyKISYLQFXOBSQMX-CYBMUJFWSA-N
XLogP4.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one with MolForge

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Related Compounds

US10829487, Example I-19
CID 138750523
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-38
CID 138750572
US10829487, Example I-52
CID 138750573
US10829487, Example I-70
CID 138750577
US10829487, Example I-56
CID 138750583
US10829487, Example I-87
CID 138750586
US10829487, Example I-162
CID 138750590
US10829487, Example I-163
CID 138750591

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one (CID 167432604) is 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one is Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cn(N3CCCCC3)c(=O)cc2n1.
What is the InChIKey of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one?
The InChIKey is KISYLQFXOBSQMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24F3N5O/c1-13(15-7-6-8-16(20(15)23)21(24)25)26-22-17-12-30(29-9-4-3-5-10-29)19(31)11-18(17)27-14(2)28-22/h6-8,11-13,21H,3-5,9-10H2,1-2H3,(H,26,27,28)/t13-/m1/s1.
What are the key properties of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one?
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one has a molecular weight of 431.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-piperidin-1-ylpyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 167432604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).