7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H26N4O4 — CID 136774672

IUPAC7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@H]4CCCO4)C3)[nH]c2=O)C1
InChIInChI=1S/C20H26N4O4/c25-18-14-6-8-24(19(26)12-3-4-12)11-15(14)21-17(22-18)13-5-7-23(10-13)20(27)16-2-1-9-28-16/h12-13,16H,1-11H2,(H,21,22,25)/t13-,16-/m1/s1
InChIKeyFZYOPWFPPFIVCC-CZUORRHYSA-N
MW386.45 g/mol
LogP0.56
Rot. Bonds3

About 7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136774672) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136774672
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@H]4CCCO4)C3)[nH]c2=O)C1
InChIInChI=1S/C20H26N4O4/c25-18-14-6-8-24(19(26)12-3-4-12)11-15(14)21-17(22-18)13-5-7-23(10-13)20(27)16-2-1-9-28-16/h12-13,16H,1-11H2,(H,21,22,25)/t13-,16-/m1/s1
InChIKeyFZYOPWFPPFIVCC-CZUORRHYSA-N
XLogP0.56
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxane-4-carbonyl)-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795990
7-(cyclobutanecarbonyl)-2-[(3R)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137090461
7-(cyclobutanecarbonyl)-2-[(3S)-1-[(1S,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136899439
2-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891278
2-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891277
7-(cyclopropanecarbonyl)-2-[1-(5-propan-2-ylpyrazolidine-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137287463
7-(cyclopropanecarbonyl)-2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136797039
7-(cyclopropanecarbonyl)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681393
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774685
7-(cyclobutanecarbonyl)-2-[(3S)-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774988
7-(cyclopropanecarbonyl)-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136682117
7-[(2S)-oxolane-2-carbonyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136678905

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136774672) is 7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(C1CC1)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@H]4CCCO4)C3)[nH]c2=O)C1.
What is the InChIKey of 7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FZYOPWFPPFIVCC-CZUORRHYSA-N. The full InChI is InChI=1S/C20H26N4O4/c25-18-14-6-8-24(19(26)12-3-4-12)11-15(14)21-17(22-18)13-5-7-23(10-13)20(27)16-2-1-9-28-16/h12-13,16H,1-11H2,(H,21,22,25)/t13-,16-/m1/s1.
What are the key properties of 7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 386.45 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonyl)-2-[(3R)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136774672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).