6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H25FN4O3 — CID 136681835

IUPAC6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1
InChIInChI=1S/C23H25FN4O3/c24-17-6-2-1-5-15(17)23(31)28-11-4-3-7-19(28)20-25-18-10-12-27(22(30)14-8-9-14)13-16(18)21(29)26-20/h1-2,5-6,14,19H,3-4,7-13H2,(H,25,26,29)/t19-/m0/s1
InChIKeyXQUZGRCNYBCFSS-IBGZPJMESA-N
MW424.48 g/mol
LogP2.57
Rot. Bonds3

About 6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136681835) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136681835
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1
InChIInChI=1S/C23H25FN4O3/c24-17-6-2-1-5-15(17)23(31)28-11-4-3-7-19(28)20-25-18-10-12-27(22(30)14-8-9-14)13-16(18)21(29)26-20/h1-2,5-6,14,19H,3-4,7-13H2,(H,25,26,29)/t19-/m0/s1
InChIKeyXQUZGRCNYBCFSS-IBGZPJMESA-N
XLogP2.57
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-benzoylpiperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136682002
6-(cyclopropanecarbonyl)-2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681348
2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774817
6-(cyclopentanecarbonyl)-2-[1-(4-methylbenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796357
2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-7-methylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136850757
6-(cyclopentanecarbonyl)-2-[1-(2-phenylacetyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796362
6-(cyclopentanecarbonyl)-2-[(2S)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774696
2-[(2R)-1-benzoylpiperidin-2-yl]-6-(pyridine-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136682010
2-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774717
2-[(2R)-1-(cyclopentanecarbonyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774689
6-(cyclopentanecarbonyl)-2-(2-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622522
2-[(2R)-1-(2-methylbenzoyl)piperidin-2-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136763325

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136681835) is 6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(C1CC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1.
What is the InChIKey of 6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XQUZGRCNYBCFSS-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-17-6-2-1-5-15(17)23(31)28-11-4-3-7-19(28)20-25-18-10-12-27(22(30)14-8-9-14)13-16(18)21(29)26-20/h1-2,5-6,14,19H,3-4,7-13H2,(H,25,26,29)/t19-/m0/s1.
What are the key properties of 6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 424.48 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136681835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).