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

C21H24N8O4S — CID 90183659

IUPAC2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol
SMILESCC(C)n1c(OCCO)nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21
InChIInChI=1S/C21H24N8O4S/c1-13(2)29-17-9-19(23-11-16(17)25-21(29)33-8-7-30)26-18-5-6-22-20(27-18)14-10-24-28(12-14)34(31,32)15-3-4-15/h5-6,9-13,15,30H,3-4,7-8H2,1-2H3,(H,22,23,26,27)
InChIKeyDAXXRLOJZMSHKO-UHFFFAOYSA-N
MW484.54 g/mol
LogP2.12
Rot. Bonds9

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

2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol (PubChem CID 90183659) has the molecular formula C21H24N8O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is 2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol
PubChem CID90183659
Molecular FormulaC21H24N8O4S
Molecular Weight484.54 g/mol
Exact Mass484.16
IUPAC Name2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol
SMILESCC(C)n1c(OCCO)nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21
InChIInChI=1S/C21H24N8O4S/c1-13(2)29-17-9-19(23-11-16(17)25-21(29)33-8-7-30)26-18-5-6-22-20(27-18)14-10-24-28(12-14)34(31,32)15-3-4-15/h5-6,9-13,15,30H,3-4,7-8H2,1-2H3,(H,22,23,26,27)
InChIKeyDAXXRLOJZMSHKO-UHFFFAOYSA-N
XLogP2.12
TPSA149.94 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.54
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol?
The IUPAC name of 2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol (CID 90183659) is 2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol.
What is the SMILES notation for 2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol?
The canonical SMILES for 2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol is CC(C)n1c(OCCO)nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21.
What is the InChIKey of 2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol?
The InChIKey is DAXXRLOJZMSHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O4S/c1-13(2)29-17-9-19(23-11-16(17)25-21(29)33-8-7-30)26-18-5-6-22-20(27-18)14-10-24-28(12-14)34(31,32)15-3-4-15/h5-6,9-13,15,30H,3-4,7-8H2,1-2H3,(H,22,23,26,27).
What are the key properties of 2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol?
2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol has a molecular weight of 484.54 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol is sourced from PubChem (CID 90183659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).