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

C24H28N6O4 — CID 56650872

IUPAC2-methoxy-5-[4-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile
SMILESCOc1ncc(N2CCc3ncnc(OC4CCN(C(=O)C5CCOCC5)C4)c3C2)cc1C#N
InChIInChI=1S/C24H28N6O4/c1-32-22-17(11-25)10-18(12-26-22)29-7-3-21-20(14-29)23(28-15-27-21)34-19-2-6-30(13-19)24(31)16-4-8-33-9-5-16/h10,12,15-16,19H,2-9,13-14H2,1H3
InChIKeyDHKFEFUZEOPUQR-UHFFFAOYSA-N
MW464.53 g/mol
LogP1.72
Rot. Bonds5

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

2-methoxy-5-[4-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile (PubChem CID 56650872) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-methoxy-5-[4-[1-(oxane-4-carbonyl)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-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile
PubChem CID56650872
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name2-methoxy-5-[4-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile
SMILESCOc1ncc(N2CCc3ncnc(OC4CCN(C(=O)C5CCOCC5)C4)c3C2)cc1C#N
InChIInChI=1S/C24H28N6O4/c1-32-22-17(11-25)10-18(12-26-22)29-7-3-21-20(14-29)23(28-15-27-21)34-19-2-6-30(13-19)24(31)16-4-8-33-9-5-16/h10,12,15-16,19H,2-9,13-14H2,1H3
InChIKeyDHKFEFUZEOPUQR-UHFFFAOYSA-N
XLogP1.72
TPSA113.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

[(3S)-3-[[6-(5-amino-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone
CID 67208511
[(3S)-3-[[6-(5,6-dimethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(2,2-dimethyloxan-4-yl)methanone
CID 56652243
(4,4-difluorocyclohexyl)-[3-[[6-(5,6-dimethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone
CID 57495275
(3-methoxycyclobutyl)-[3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone
CID 56651546
2-methoxy-5-[4-[(3S)-pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile
CID 66653749
[(3S)-3-[[6-(5-chloro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 56650539
[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 118537076
[3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56651544
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 57495356
2-methoxy-5-[2-(methylideneamino)-6-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carbonitrile
CID 123147235
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone
CID 56653268
3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]azetidine-1-carboxylic acid
CID 142721359

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[1-(oxane-4-carbonyl)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-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile (CID 56650872) is 2-methoxy-5-[4-[1-(oxane-4-carbonyl)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-[1-(oxane-4-carbonyl)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-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile is COc1ncc(N2CCc3ncnc(OC4CCN(C(=O)C5CCOCC5)C4)c3C2)cc1C#N.
What is the InChIKey of 2-methoxy-5-[4-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile?
The InChIKey is DHKFEFUZEOPUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-32-22-17(11-25)10-18(12-26-22)29-7-3-21-20(14-29)23(28-15-27-21)34-19-2-6-30(13-19)24(31)16-4-8-33-9-5-16/h10,12,15-16,19H,2-9,13-14H2,1H3.
What are the key properties of 2-methoxy-5-[4-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile?
2-methoxy-5-[4-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile has a molecular weight of 464.53 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56650872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).