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

C21H28N4O3 — CID 136774676

IUPAC2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2c(nc([C@@H]3CCN(C(=O)C4CCCC4)C3)[nH]c2=O)C1
InChIInChI=1S/C21H28N4O3/c26-19-16-8-10-25(21(28)14-5-6-14)12-17(16)22-18(23-19)15-7-9-24(11-15)20(27)13-3-1-2-4-13/h13-15H,1-12H2,(H,22,23,26)/t15-/m1/s1
InChIKeySPQFKEVQZMXHTH-OAHLLOKOSA-N
MW384.48 g/mol
LogP1.57
Rot. Bonds3

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

2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136774676) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136774676
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2c(nc([C@@H]3CCN(C(=O)C4CCCC4)C3)[nH]c2=O)C1
InChIInChI=1S/C21H28N4O3/c26-19-16-8-10-25(21(28)14-5-6-14)12-17(16)22-18(23-19)15-7-9-24(11-15)20(27)13-3-1-2-4-13/h13-15H,1-12H2,(H,22,23,26)/t15-/m1/s1
InChIKeySPQFKEVQZMXHTH-OAHLLOKOSA-N
XLogP1.57
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-7-[3-(1-methyl-3-piperidinyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136216809
2-(cyclopropylmethyl)-7-[(1-isopropyl-5-oxo-3-pyrrolidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136232514
7-(2-Cyclopentylacetyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707040
7-Cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796946
7-Cyclohexyl-2-(1-propanoylpyrrolidin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796967
2-(1-Butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136797154
6-Cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136797155
2-(cyclopropylmethyl)-7-(2,8-diazaspiro[4.5]dec-3-ylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136112864
2-(cyclopropylmethyl)-7-[(1-ethyl-4-piperidinyl)acetyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136217014
6-(Cyclopentanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135481518
7-(Cyclopentylmethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866073
7-(Cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866077

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136774676) is 2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(C1CC1)N1CCc2c(nc([C@@H]3CCN(C(=O)C4CCCC4)C3)[nH]c2=O)C1.
What is the InChIKey of 2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SPQFKEVQZMXHTH-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-19-16-8-10-25(21(28)14-5-6-14)12-17(16)22-18(23-19)15-7-9-24(11-15)20(27)13-3-1-2-4-13/h13-15H,1-12H2,(H,22,23,26)/t15-/m1/s1.
What are the key properties of 2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 384.48 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136774676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).