2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C23H26N6O — CID 171387337

IUPAC2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCn1c(C2CCCN(c3nc(C4CC4)nc4c3CCNC4=O)C2)nc2ccccc21
InChIInChI=1S/C23H26N6O/c1-28-18-7-3-2-6-17(18)25-21(28)15-5-4-12-29(13-15)22-16-10-11-24-23(30)19(16)26-20(27-22)14-8-9-14/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,24,30)
InChIKeyDYUAZNUMCAHBFQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.91
Rot. Bonds3

About 2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171387337) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171387337
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCn1c(C2CCCN(c3nc(C4CC4)nc4c3CCNC4=O)C2)nc2ccccc21
InChIInChI=1S/C23H26N6O/c1-28-18-7-3-2-6-17(18)25-21(28)15-5-4-12-29(13-15)22-16-10-11-24-23(30)19(16)26-20(27-22)14-8-9-14/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,24,30)
InChIKeyDYUAZNUMCAHBFQ-UHFFFAOYSA-N
XLogP2.91
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385438
2-cyclopropyl-4-(3-hydroxyazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387613
3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97275588
2-cyclopropyl-4-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387272
2-cyclopropyl-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386634
4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387414
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 70787787
2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-1-methylbenzimidazole
CID 89493659
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
4-[3-(dimethylamino)azepan-1-yl]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389218
1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 91947124

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171387337) is 2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is Cn1c(C2CCCN(c3nc(C4CC4)nc4c3CCNC4=O)C2)nc2ccccc21.
What is the InChIKey of 2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is DYUAZNUMCAHBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-28-18-7-3-2-6-17(18)25-21(28)15-5-4-12-29(13-15)22-16-10-11-24-23(30)19(16)26-20(27-22)14-8-9-14/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,24,30).
What are the key properties of 2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 402.50 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171387337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).