8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C26H32N4O3 — CID 110260699

IUPAC8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1c(C)cccc1C(=O)N1CCCCC1c1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2
InChIInChI=1S/C26H32N4O3/c1-16-7-6-8-20(23(16)33-3)26(32)29-14-5-4-9-21(29)24-27-17(2)19-12-13-22(31)30(25(19)28-24)15-18-10-11-18/h6-8,18,21H,4-5,9-15H2,1-3H3
InChIKeyVLSKHTFOEVMJPF-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.16
Rot. Bonds5

About 8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110260699) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110260699
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1c(C)cccc1C(=O)N1CCCCC1c1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2
InChIInChI=1S/C26H32N4O3/c1-16-7-6-8-20(23(16)33-3)26(32)29-14-5-4-9-21(29)24-27-17(2)19-12-13-22(31)30(25(19)28-24)15-18-10-11-18/h6-8,18,21H,4-5,9-15H2,1-3H3
InChIKeyVLSKHTFOEVMJPF-UHFFFAOYSA-N
XLogP4.16
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cyclopropylmethyl)-2-[1-(3-methoxybenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260734
8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95838071
8-(cyclopropylmethyl)-4-methyl-2-[(2R)-1-(3-methylbutanoyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629774
2-[(2S)-1-(2-aminopyridine-3-carbonyl)piperidin-2-yl]-7-(cyclohexylmethyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629443
8-(cyclopropylmethyl)-4-methyl-2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260662
8-(cyclohexylmethyl)-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630934
8-(cyclopropylmethyl)-4-methyl-2-[(2R)-1-[2-(4-methylpiperidin-1-yl)acetyl]piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630019
2-[(2R)-1-cyclopentylpiperidin-2-yl]-8-(cyclopropylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629990
8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630536
8-benzyl-2-[1-(cyclohexanecarbonyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268510
8-benzyl-2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260819
[(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 92622534

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110260699) is 8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COc1c(C)cccc1C(=O)N1CCCCC1c1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2.
What is the InChIKey of 8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VLSKHTFOEVMJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-16-7-6-8-20(23(16)33-3)26(32)29-14-5-4-9-21(29)24-27-17(2)19-12-13-22(31)30(25(19)28-24)15-18-10-11-18/h6-8,18,21H,4-5,9-15H2,1-3H3.
What are the key properties of 8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 448.57 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110260699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).