(2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C24H29F2N5O — CID 46050510

IUPAC(2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC1CCN(c2nc3c(c(N4CCCC4)n2)CN(C(=O)c2ccc(F)cc2F)CC3)CC1
InChIInChI=1S/C24H29F2N5O/c1-16-6-11-30(12-7-16)24-27-21-8-13-31(23(32)18-5-4-17(25)14-20(18)26)15-19(21)22(28-24)29-9-2-3-10-29/h4-5,14,16H,2-3,6-13,15H2,1H3
InChIKeyQILJFHNDVROVLG-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.79
Rot. Bonds3

About (2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 46050510) has the molecular formula C24H29F2N5O and a molecular weight of 441.53 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID46050510
Molecular FormulaC24H29F2N5O
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name(2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC1CCN(c2nc3c(c(N4CCCC4)n2)CN(C(=O)c2ccc(F)cc2F)CC3)CC1
InChIInChI=1S/C24H29F2N5O/c1-16-6-11-30(12-7-16)24-27-21-8-13-31(23(32)18-5-4-17(25)14-20(18)26)15-19(21)22(28-24)29-9-2-3-10-29/h4-5,14,16H,2-3,6-13,15H2,1H3
InChIKeyQILJFHNDVROVLG-UHFFFAOYSA-N
XLogP3.79
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 83290336
(2-chlorophenyl)-[4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855695
(3-methoxyphenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855482
[2,4-bis(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone
CID 42855494
(2-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855555
(2,4-difluorophenyl)-[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050656
1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
CID 46072549
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
2-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 42870736
(2-chlorophenyl)-(2-piperidin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42855739
N-(3-chlorophenyl)-4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46160236
1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 42855493

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 46050510) is (2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CC1CCN(c2nc3c(c(N4CCCC4)n2)CN(C(=O)c2ccc(F)cc2F)CC3)CC1.
What is the InChIKey of (2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is QILJFHNDVROVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O/c1-16-6-11-30(12-7-16)24-27-21-8-13-31(23(32)18-5-4-17(25)14-20(18)26)15-19(21)22(28-24)29-9-2-3-10-29/h4-5,14,16H,2-3,6-13,15H2,1H3.
What are the key properties of (2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 441.53 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 46050510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).