4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol

C24H31ClN8O — CID 135385948

About 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol

4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol (PubChem CID 135385948) has the molecular formula C24H31ClN8O and a molecular weight of 483.02 g/mol. Its IUPAC name is 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

• Compound Name: 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol
• PubChem CID: 135385948
• Molecular Formula: C24H31ClN8O
• Molecular Weight: 483.02 g/mol
• Exact Mass: 482.23
• IUPAC Name: 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol
• SMILES: CN1CN(CCC(C)(C)O)c2cc(Nc3nc(N4CCc5cnn(C)c5C4)ncc3Cl)ccc21
• InChI: InChI=1S/C24H31ClN8O/c1-24(2,34)8-10-33-15-30(3)19-6-5-17(11-20(19)33)28-22-18(25)13-26-23(29-22)32-9-7-16-12-27-31(4)21(16)14-32/h5-6,11-13,34H,7-10,14-15H2,1-4H3,(H,26,28,29)
• InChIKey: ULVRGAUQTRDPMI-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 85.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.02
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol?

The IUPAC name of 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol (CID 135385948) is 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol.

What is the SMILES notation for 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol?

The canonical SMILES for 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol is CN1CN(CCC(C)(C)O)c2cc(Nc3nc(N4CCc5cnn(C)c5C4)ncc3Cl)ccc21.

What is the InChIKey of 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol?

The InChIKey is ULVRGAUQTRDPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN8O/c1-24(2,34)8-10-33-15-30(3)19-6-5-17(11-20(19)33)28-22-18(25)13-26-23(29-22)32-9-7-16-12-27-31(4)21(16)14-32/h5-6,11-13,34H,7-10,14-15H2,1-4H3,(H,26,28,29).

What are the key properties of 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol?

4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 483.02 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-3-methyl-2H-benzimidazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 135385948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).