[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

C23H27N7O3 — CID 56651544

IUPAC[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
SMILESCOc1ncc(N2CCc3ncnc(OC4CCN(C(=O)c5cncn5C)C4)c3C2)cc1C
InChIInChI=1S/C23H27N7O3/c1-15-8-16(9-25-21(15)32-3)29-7-5-19-18(12-29)22(27-13-26-19)33-17-4-6-30(11-17)23(31)20-10-24-14-28(20)2/h8-10,13-14,17H,4-7,11-12H2,1-3H3
InChIKeyBGQDYKLFJLQYFK-UHFFFAOYSA-N
MW449.52 g/mol
LogP1.78
Rot. Bonds5

About [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

[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 (PubChem CID 56651544) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID56651544
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name[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
SMILESCOc1ncc(N2CCc3ncnc(OC4CCN(C(=O)c5cncn5C)C4)c3C2)cc1C
InChIInChI=1S/C23H27N7O3/c1-15-8-16(9-25-21(15)32-3)29-7-5-19-18(12-29)22(27-13-26-19)33-17-4-6-30(11-17)23(31)20-10-24-14-28(20)2/h8-10,13-14,17H,4-7,11-12H2,1-3H3
InChIKeyBGQDYKLFJLQYFK-UHFFFAOYSA-N
XLogP1.78
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1ncc(N2CCc3ncnc(OC4CCN(C(=O)c5cncn5C)C4)c3C2)cc1C.
What is the InChIKey of [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?
The InChIKey is BGQDYKLFJLQYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-15-8-16(9-25-21(15)32-3)29-7-5-19-18(12-29)22(27-13-26-19)33-17-4-6-30(11-17)23(31)20-10-24-14-28(20)2/h8-10,13-14,17H,4-7,11-12H2,1-3H3.
What are the key properties of [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?
[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 has a molecular weight of 449.52 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 56651544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).