[6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol

C21H29N7O2 — CID 90183617

IUPAC[6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
SMILESCO[C@@H]1CCN(c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)C[C@@H]1C
InChIInChI=1S/C21H29N7O2/c1-13(2)28-16-9-19(23-10-15(16)24-20(28)12-29)25-18-5-7-22-21(26-18)27-8-6-17(30-4)14(3)11-27/h5,7,9-10,13-14,17,29H,6,8,11-12H2,1-4H3,(H,22,23,25,26)/t14-,17+/m0/s1
InChIKeyVOTOPWMKJKDZDU-WMLDXEAASA-N
MW411.51 g/mol
LogP2.90
Rot. Bonds6

About [6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol

[6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol (PubChem CID 90183617) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is [6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
PubChem CID90183617
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name[6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
SMILESCO[C@@H]1CCN(c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)C[C@@H]1C
InChIInChI=1S/C21H29N7O2/c1-13(2)28-16-9-19(23-10-15(16)24-20(28)12-29)25-18-5-7-22-21(26-18)27-8-6-17(30-4)14(3)11-27/h5,7,9-10,13-14,17,29H,6,8,11-12H2,1-4H3,(H,22,23,25,26)/t14-,17+/m0/s1
InChIKeyVOTOPWMKJKDZDU-WMLDXEAASA-N
XLogP2.90
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The IUPAC name of [6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol (CID 90183617) is [6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-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-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The canonical SMILES for [6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol is CO[C@@H]1CCN(c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)C[C@@H]1C.
What is the InChIKey of [6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The InChIKey is VOTOPWMKJKDZDU-WMLDXEAASA-N. The full InChI is InChI=1S/C21H29N7O2/c1-13(2)28-16-9-19(23-10-15(16)24-20(28)12-29)25-18-5-7-22-21(26-18)27-8-6-17(30-4)14(3)11-27/h5,7,9-10,13-14,17,29H,6,8,11-12H2,1-4H3,(H,22,23,25,26)/t14-,17+/m0/s1.
What are the key properties of [6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
[6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol has a molecular weight of 411.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol is sourced from PubChem (CID 90183617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).