(2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid

C21H22N8O5S — CID 130234511

IUPAC(2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid
SMILESCCCn1c(C)nc2cnc(N(C(=O)O)c3ccnc(-c4cnn(S(=O)(=O)C5COC5)c4)n3)cc21
InChIInChI=1S/C21H22N8O5S/c1-3-6-27-13(2)25-16-9-23-19(7-17(16)27)29(21(30)31)18-4-5-22-20(26-18)14-8-24-28(10-14)35(32,33)15-11-34-12-15/h4-5,7-10,15H,3,6,11-12H2,1-2H3,(H,30,31)
InChIKeySGHXDLYKSHTPET-UHFFFAOYSA-N
MW498.53 g/mol
LogP2.20
Rot. Bonds7

About (2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid

(2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid (PubChem CID 130234511) has the molecular formula C21H22N8O5S and a molecular weight of 498.53 g/mol. Its IUPAC name is (2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid.

Molecular Properties

Compound Name(2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid
PubChem CID130234511
Molecular FormulaC21H22N8O5S
Molecular Weight498.53 g/mol
Exact Mass498.14
IUPAC Name(2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid
SMILESCCCn1c(C)nc2cnc(N(C(=O)O)c3ccnc(-c4cnn(S(=O)(=O)C5COC5)c4)n3)cc21
InChIInChI=1S/C21H22N8O5S/c1-3-6-27-13(2)25-16-9-23-19(7-17(16)27)29(21(30)31)18-4-5-22-20(26-18)14-8-24-28(10-14)35(32,33)15-11-34-12-15/h4-5,7-10,15H,3,6,11-12H2,1-2H3,(H,30,31)
InChIKeySGHXDLYKSHTPET-UHFFFAOYSA-N
XLogP2.20
TPSA158.22 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid with MolForge

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Related Compounds

[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridin-2-yl]-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-[2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridin-6-yl]amino]methanol
CID 118661682
1-[1-butan-2-yl-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]imidazo[4,5-c]pyridin-2-yl]ethanol
CID 123927459
1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol
CID 90183698
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-N-[4-(2-fluoroethylamino)cyclohexyl]-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]pyridine-2,4-diamine
CID 175846325
2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol
CID 90183659
2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine
CID 167425927
N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine
CID 118661758
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987
[4-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
CID 167425600
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 131942241
2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131951300
3-[2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-3-pyridinyl]ethynyl]oxolan-3-ol
CID 167426670

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid?
The IUPAC name of (2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid (CID 130234511) is (2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid.
What is the SMILES notation for (2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid?
The canonical SMILES for (2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid is CCCn1c(C)nc2cnc(N(C(=O)O)c3ccnc(-c4cnn(S(=O)(=O)C5COC5)c4)n3)cc21.
What is the InChIKey of (2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid?
The InChIKey is SGHXDLYKSHTPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O5S/c1-3-6-27-13(2)25-16-9-23-19(7-17(16)27)29(21(30)31)18-4-5-22-20(26-18)14-8-24-28(10-14)35(32,33)15-11-34-12-15/h4-5,7-10,15H,3,6,11-12H2,1-2H3,(H,30,31).
What are the key properties of (2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid?
(2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid has a molecular weight of 498.53 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-propylimidazo[4,5-c]pyridin-6-yl)-[2-[1-(oxetan-3-ylsulfonyl)pyrazol-4-yl]pyrimidin-4-yl]carbamic acid is sourced from PubChem (CID 130234511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).