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

C19H21N7OS — CID 90183661

IUPAC[6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
SMILESCCc1ncc(-c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)s1
InChIInChI=1S/C19H21N7OS/c1-4-18-22-9-14(28-18)19-20-6-5-15(25-19)24-16-7-13-12(8-21-16)23-17(10-27)26(13)11(2)3/h5-9,11,27H,4,10H2,1-3H3,(H,20,21,24,25)
InChIKeyQIENROLDUAZKSN-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.72
Rot. Bonds6

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

[6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol (PubChem CID 90183661) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is [6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
PubChem CID90183661
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC Name[6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
SMILESCCc1ncc(-c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)s1
InChIInChI=1S/C19H21N7OS/c1-4-18-22-9-14(28-18)19-20-6-5-15(25-19)24-16-7-13-12(8-21-16)23-17(10-27)26(13)11(2)3/h5-9,11,27H,4,10H2,1-3H3,(H,20,21,24,25)
InChIKeyQIENROLDUAZKSN-UHFFFAOYSA-N
XLogP3.72
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The IUPAC name of [6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol (CID 90183661) is [6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol.
What is the SMILES notation for [6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The canonical SMILES for [6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol is CCc1ncc(-c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)s1.
What is the InChIKey of [6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
The InChIKey is QIENROLDUAZKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c1-4-18-22-9-14(28-18)19-20-6-5-15(25-19)24-16-7-13-12(8-21-16)23-17(10-27)26(13)11(2)3/h5-9,11,27H,4,10H2,1-3H3,(H,20,21,24,25).
What are the key properties of [6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol?
[6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol has a molecular weight of 395.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(2-ethyl-1,3-thiazol-5-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol is sourced from PubChem (CID 90183661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).