(3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid

C18H20FN5O4 — CID 142721358

IUPAC(3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)O)C4)c3C2)cc1F
InChIInChI=1S/C18H20FN5O4/c1-27-17-14(19)6-11(7-20-17)23-5-3-15-13(9-23)16(22-10-21-15)28-12-2-4-24(8-12)18(25)26/h6-7,10,12H,2-5,8-9H2,1H3,(H,25,26)/t12-/m0/s1
InChIKeyFZUPIOAYBBIYTR-LBPRGKRZSA-N
MW389.39 g/mol
LogP1.71
Rot. Bonds4

About (3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid

(3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid (PubChem CID 142721358) has the molecular formula C18H20FN5O4 and a molecular weight of 389.39 g/mol. Its IUPAC name is (3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid
PubChem CID142721358
Molecular FormulaC18H20FN5O4
Molecular Weight389.39 g/mol
Exact Mass389.15
IUPAC Name(3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)O)C4)c3C2)cc1F
InChIInChI=1S/C18H20FN5O4/c1-27-17-14(19)6-11(7-20-17)23-5-3-15-13(9-23)16(22-10-21-15)28-12-2-4-24(8-12)18(25)26/h6-7,10,12H,2-5,8-9H2,1H3,(H,25,26)/t12-/m0/s1
InChIKeyFZUPIOAYBBIYTR-LBPRGKRZSA-N
XLogP1.71
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Isopropyl 4-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)piperidine-1-carboxylate
CID 16036825
Isopropyl 9-anti-({5-Methyl-6-[(2-methylpyridin-3-yl)oxy]pyrimidin-4-yl}oxy)-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 54584353
(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
propan-2-yl (1S,5R)-9-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 46208490
(1R,5R,8R)-Isopropyl 8-(5-Methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 51354342
N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71452252
2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71461213
N-(4-methyl-3-pyridinyl)-2-(6-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71461214
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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid (CID 142721358) is (3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid is COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)O)C4)c3C2)cc1F.
What is the InChIKey of (3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid?
The InChIKey is FZUPIOAYBBIYTR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20FN5O4/c1-27-17-14(19)6-11(7-20-17)23-5-3-15-13(9-23)16(22-10-21-15)28-12-2-4-24(8-12)18(25)26/h6-7,10,12H,2-5,8-9H2,1H3,(H,25,26)/t12-/m0/s1.
What are the key properties of (3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid?
(3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid has a molecular weight of 389.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[6-(5-fluoro-6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 142721358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).