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

C20H26FN7O2 — CID 118661739

IUPAC[6-[[2-[(3S,4S)-3-fluoro-4-methoxypiperidin-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]1F
InChIInChI=1S/C20H26FN7O2/c1-12(2)28-15-8-18(23-9-14(15)24-19(28)11-29)25-17-4-6-22-20(26-17)27-7-5-16(30-3)13(21)10-27/h4,6,8-9,12-13,16,29H,5,7,10-11H2,1-3H3,(H,22,23,25,26)/t13-,16-/m0/s1
InChIKeyBJQBLOLTVCVLLZ-BBRMVZONSA-N
MW415.47 g/mol
LogP2.60
Rot. Bonds6

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

[6-[[2-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol (PubChem CID 118661739) has the molecular formula C20H26FN7O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is [6-[[2-[(3S,4S)-3-fluoro-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-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
PubChem CID118661739
Molecular FormulaC20H26FN7O2
Molecular Weight415.47 g/mol
Exact Mass415.21
IUPAC Name[6-[[2-[(3S,4S)-3-fluoro-4-methoxypiperidin-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]1F
InChIInChI=1S/C20H26FN7O2/c1-12(2)28-15-8-18(23-9-14(15)24-19(28)11-29)25-17-4-6-22-20(26-17)27-7-5-16(30-3)13(21)10-27/h4,6,8-9,12-13,16,29H,5,7,10-11H2,1-3H3,(H,22,23,25,26)/t13-,16-/m0/s1
InChIKeyBJQBLOLTVCVLLZ-BBRMVZONSA-N
XLogP2.60
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-[(3S,4S)-3-fluoro-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-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol (CID 118661739) is [6-[[2-[(3S,4S)-3-fluoro-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-[(3S,4S)-3-fluoro-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-[(3S,4S)-3-fluoro-4-methoxypiperidin-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]1F.
What is the InChIKey of [6-[[2-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The InChIKey is BJQBLOLTVCVLLZ-BBRMVZONSA-N. The full InChI is InChI=1S/C20H26FN7O2/c1-12(2)28-15-8-18(23-9-14(15)24-19(28)11-29)25-17-4-6-22-20(26-17)27-7-5-16(30-3)13(21)10-27/h4,6,8-9,12-13,16,29H,5,7,10-11H2,1-3H3,(H,22,23,25,26)/t13-,16-/m0/s1.
What are the key properties of [6-[[2-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
[6-[[2-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol has a molecular weight of 415.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol is sourced from PubChem (CID 118661739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).