2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile

C25H30N6O4 — CID 56652246

IUPAC2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)CC5CCOCC5)C4)c3C2)cc1C#N
InChIInChI=1S/C25H30N6O4/c1-33-24-18(12-26)11-19(13-27-24)30-7-3-22-21(15-30)25(29-16-28-22)35-20-2-6-31(14-20)23(32)10-17-4-8-34-9-5-17/h11,13,16-17,20H,2-10,14-15H2,1H3/t20-/m0/s1
InChIKeyGPLHVQYUIOXZET-FQEVSTJZSA-N
MW478.55 g/mol
LogP2.11
Rot. Bonds6

About 2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile

2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile (PubChem CID 56652246) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile
PubChem CID56652246
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)CC5CCOCC5)C4)c3C2)cc1C#N
InChIInChI=1S/C25H30N6O4/c1-33-24-18(12-26)11-19(13-27-24)30-7-3-22-21(15-30)25(29-16-28-22)35-20-2-6-31(14-20)23(32)10-17-4-8-34-9-5-17/h11,13,16-17,20H,2-10,14-15H2,1H3/t20-/m0/s1
InChIKeyGPLHVQYUIOXZET-FQEVSTJZSA-N
XLogP2.11
TPSA113.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(S)-(3-((6-(6-Methoxy-5-methylpyridin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)oxy)pyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 56599298
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 56654649
1-{(S)-3-[6-(6-methoxy-5-trifluoromethyl-pyridin-3-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yloxy]-pyrrolidin-1-yl}-propan-1-one
CID 57495287
[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 66653673
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 66677439
N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71461280
1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one
CID 145951131
2-methoxy-5-[4-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxyquinazolin-6-yl]pyridine-3-carbonitrile
CID 155554616
N-(6-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49821988
[(3S)-3-[[6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 56650538
2-methoxy-5-[4-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile
CID 56650871
1-[(3S)-3-[[6-(5,6-dimethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one
CID 56650873

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile (CID 56652246) is 2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile is COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)CC5CCOCC5)C4)c3C2)cc1C#N.
What is the InChIKey of 2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile?
The InChIKey is GPLHVQYUIOXZET-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-33-24-18(12-26)11-19(13-27-24)30-7-3-22-21(15-30)25(29-16-28-22)35-20-2-6-31(14-20)23(32)10-17-4-8-34-9-5-17/h11,13,16-17,20H,2-10,14-15H2,1H3/t20-/m0/s1.
What are the key properties of 2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile?
2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile has a molecular weight of 478.55 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[(3S)-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56652246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).