1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H33N5O2 — CID 55779621

About 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55779621) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55779621
• Molecular Formula: C26H33N5O2
• Molecular Weight: 447.58 g/mol
• Exact Mass: 447.26
• IUPAC Name: 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C
• InChI: InChI=1S/C26H33N5O2/c1-14(2)20-13-19(22-16(4)30-31(23(22)28-20)26(5,6)7)25(33)29-21-12-18(11-8-15(21)3)27-24(32)17-9-10-17/h8,11-14,17H,9-10H2,1-7H3,(H,27,32)(H,29,33)
• InChIKey: ZZIYYACNKHLVAG-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.58
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55779621) is 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C.

What is the InChIKey of 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is ZZIYYACNKHLVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-14(2)20-13-19(22-16(4)30-31(23(22)28-20)26(5,6)7)25(33)29-21-12-18(11-8-15(21)3)27-24(32)17-9-10-17/h8,11-14,17H,9-10H2,1-7H3,(H,27,32)(H,29,33).

What are the key properties of 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55779621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).