2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C25H29N5O3 — CID 92630453

IUPAC2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1ccc2c(c1)cc(C(=O)N1CCC[C@H]1c1nc(C)c3c(n1)N(C)C(=O)CC3)n2C
InChIInChI=1S/C25H29N5O3/c1-5-33-17-8-10-19-16(13-17)14-21(28(19)3)25(32)30-12-6-7-20(30)23-26-15(2)18-9-11-22(31)29(4)24(18)27-23/h8,10,13-14,20H,5-7,9,11-12H2,1-4H3/t20-/m0/s1
InChIKeyNHEPWHPQWYIPOW-FQEVSTJZSA-N
MW447.54 g/mol
LogP3.56
Rot. Bonds4

About 2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92630453) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92630453
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1ccc2c(c1)cc(C(=O)N1CCC[C@H]1c1nc(C)c3c(n1)N(C)C(=O)CC3)n2C
InChIInChI=1S/C25H29N5O3/c1-5-33-17-8-10-19-16(13-17)14-21(28(19)3)25(32)30-12-6-7-20(30)23-26-15(2)18-9-11-22(31)29(4)24(18)27-23/h8,10,13-14,20H,5-7,9,11-12H2,1-4H3/t20-/m0/s1
InChIKeyNHEPWHPQWYIPOW-FQEVSTJZSA-N
XLogP3.56
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260881
2-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260803
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)-2-[1-(3-methoxybenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260734
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260627
8-(cyclopropylmethyl)-2-[1-(2-methoxy-3-methylbenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260699
2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631456
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-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260662
4,7-dimethyl-2-[(2R)-1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629442
4-methyl-2-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630368
8-benzyl-4-methyl-2-[(2R)-1-(2-phenylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618762

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92630453) is 2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCOc1ccc2c(c1)cc(C(=O)N1CCC[C@H]1c1nc(C)c3c(n1)N(C)C(=O)CC3)n2C.
What is the InChIKey of 2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NHEPWHPQWYIPOW-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-5-33-17-8-10-19-16(13-17)14-21(28(19)3)25(32)30-12-6-7-20(30)23-26-15(2)18-9-11-22(31)29(4)24(18)27-23/h8,10,13-14,20H,5-7,9,11-12H2,1-4H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 447.54 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92630453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).