[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol

C20H27N7O2 — CID 90183305

IUPAC[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)CC1
InChIInChI=1S/C20H27N7O2/c1-13(2)27-16-10-18(22-11-15(16)23-19(27)12-28)24-17-4-7-21-20(25-17)26-8-5-14(29-3)6-9-26/h4,7,10-11,13-14,28H,5-6,8-9,12H2,1-3H3,(H,21,22,24,25)
InChIKeyBROYMMFRLLTITA-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.65
Rot. Bonds6

About [6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol

[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol (PubChem CID 90183305) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is [6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
PubChem CID90183305
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)CC1
InChIInChI=1S/C20H27N7O2/c1-13(2)27-16-10-18(22-11-15(16)23-19(27)12-28)24-17-4-7-21-20(25-17)26-8-5-14(29-3)6-9-26/h4,7,10-11,13-14,28H,5-6,8-9,12H2,1-3H3,(H,21,22,24,25)
InChIKeyBROYMMFRLLTITA-UHFFFAOYSA-N
XLogP2.65
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The IUPAC name of [6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol (CID 90183305) is [6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol.
What is the SMILES notation for [6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The canonical SMILES for [6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)CC1.
What is the InChIKey of [6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The InChIKey is BROYMMFRLLTITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-13(2)27-16-10-18(22-11-15(16)23-19(27)12-28)24-17-4-7-21-20(25-17)26-8-5-14(29-3)6-9-26/h4,7,10-11,13-14,28H,5-6,8-9,12H2,1-3H3,(H,21,22,24,25).
What are the key properties of [6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol has a molecular weight of 397.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol is sourced from PubChem (CID 90183305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).