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

C24H28N6O3 — CID 56651215

IUPAC5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCCC5)C4)c3C2)cc1C#N
InChIInChI=1S/C24H28N6O3/c1-32-22-17(11-25)10-18(12-26-22)29-9-7-21-20(14-29)23(28-15-27-21)33-19-6-8-30(13-19)24(31)16-4-2-3-5-16/h10,12,15-16,19H,2-9,13-14H2,1H3/t19-/m0/s1
InChIKeyMSQYJWDVYZNHAV-IBGZPJMESA-N
MW448.53 g/mol
LogP2.48
Rot. Bonds5

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

5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 56651215) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile
PubChem CID56651215
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCCC5)C4)c3C2)cc1C#N
InChIInChI=1S/C24H28N6O3/c1-32-22-17(11-25)10-18(12-26-22)29-9-7-21-20(14-29)23(28-15-27-21)33-19-6-8-30(13-19)24(31)16-4-2-3-5-16/h10,12,15-16,19H,2-9,13-14H2,1H3/t19-/m0/s1
InChIKeyMSQYJWDVYZNHAV-IBGZPJMESA-N
XLogP2.48
TPSA104.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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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
2-methoxy-5-[4-[(3S)-1-propanoylpyrrolidin-3-yl]oxyquinazolin-6-yl]pyridine-3-carbonitrile
CID 134156160
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
[(3S)-3-[[6-(5,6-dimethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 56650874
[(3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 56651213

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile (CID 56651215) is 5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile is COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCCC5)C4)c3C2)cc1C#N.
What is the InChIKey of 5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile?
The InChIKey is MSQYJWDVYZNHAV-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N6O3/c1-32-22-17(11-25)10-18(12-26-22)29-9-7-21-20(14-29)23(28-15-27-21)33-19-6-8-30(13-19)24(31)16-4-2-3-5-16/h10,12,15-16,19H,2-9,13-14H2,1H3/t19-/m0/s1.
What are the key properties of 5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile?
5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 448.53 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 56651215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).