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

C21H24N8O3S — CID 90183698

IUPAC1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol
SMILESCC(O)c1nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc2n1C(C)C
InChIInChI=1S/C21H24N8O3S/c1-12(2)29-17-8-19(23-10-16(17)25-21(29)13(3)30)26-18-6-7-22-20(27-18)14-9-24-28(11-14)33(31,32)15-4-5-15/h6-13,15,30H,4-5H2,1-3H3,(H,22,23,26,27)
InChIKeyZADBPBVYERRYGW-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.80
Rot. Bonds7

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

1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol (PubChem CID 90183698) has the molecular formula C21H24N8O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is 1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol
PubChem CID90183698
Molecular FormulaC21H24N8O3S
Molecular Weight468.54 g/mol
Exact Mass468.17
IUPAC Name1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol
SMILESCC(O)c1nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc2n1C(C)C
InChIInChI=1S/C21H24N8O3S/c1-12(2)29-17-8-19(23-10-16(17)25-21(29)13(3)30)26-18-6-7-22-20(27-18)14-9-24-28(11-14)33(31,32)15-4-5-15/h6-13,15,30H,4-5H2,1-3H3,(H,22,23,26,27)
InChIKeyZADBPBVYERRYGW-UHFFFAOYSA-N
XLogP2.80
TPSA140.71 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol?
The IUPAC name of 1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol (CID 90183698) is 1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol.
What is the SMILES notation for 1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol?
The canonical SMILES for 1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol is CC(O)c1nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc2n1C(C)C.
What is the InChIKey of 1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol?
The InChIKey is ZADBPBVYERRYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O3S/c1-12(2)29-17-8-19(23-10-16(17)25-21(29)13(3)30)26-18-6-7-22-20(27-18)14-9-24-28(11-14)33(31,32)15-4-5-15/h6-13,15,30H,4-5H2,1-3H3,(H,22,23,26,27).
What are the key properties of 1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol?
1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol has a molecular weight of 468.54 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol is sourced from PubChem (CID 90183698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).