1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C30H28N10O — CID 176699378

About 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176699378) has the molecular formula C30H28N10O and a molecular weight of 544.62 g/mol. Its IUPAC name is 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 176699378
• Molecular Formula: C30H28N10O
• Molecular Weight: 544.62 g/mol
• Exact Mass: 544.24
• IUPAC Name: 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: NC(=O)c1ccn(C2CC2)n1.Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2
• InChI: InChI=1S/C23H19N7.C7H9N3O/c24-21-18(6-2-11-25-21)22-27-19-9-10-20(29-13-3-12-26-29)28-23(19)30(22)17-8-7-15-4-1-5-16(15)14-17;8-7(11)6-3-4-10(9-6)5-1-2-5/h2-3,6-14H,1,4-5H2,(H2,24,25);3-5H,1-2H2,(H2,8,11)
• InChIKey: HBNUBAGKLBBKTD-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 148.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.62
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 176699378) is 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is NC(=O)c1ccn(C2CC2)n1.Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2.

What is the InChIKey of 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is HBNUBAGKLBBKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7.C7H9N3O/c24-21-18(6-2-11-25-21)22-27-19-9-10-20(29-13-3-12-26-29)28-23(19)30(22)17-8-7-15-4-1-5-16(15)14-17;8-7(11)6-3-4-10(9-6)5-1-2-5/h2-3,6-14H,1,4-5H2,(H2,24,25);3-5H,1-2H2,(H2,8,11).

What are the key properties of 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 544.62 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176699378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).