N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C30H35N9O2 — CID 67075657

About N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 67075657) has the molecular formula C30H35N9O2 and a molecular weight of 553.67 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
• PubChem CID: 67075657
• Molecular Formula: C30H35N9O2
• Molecular Weight: 553.67 g/mol
• Exact Mass: 553.29
• IUPAC Name: N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
• SMILES: CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)c4cn[nH]c4)CC3)nc1-2
• InChI: InChI=1S/C30H35N9O2/c1-4-18-7-6-8-19(5-2)24(18)35-28(40)26-23-10-9-20-15-31-30(36-25(20)27(23)38(3)37-26)34-22-11-13-39(14-12-22)29(41)21-16-32-33-17-21/h6-8,15-17,22H,4-5,9-14H2,1-3H3,(H,32,33)(H,35,40)(H,31,34,36)
• InChIKey: CIGSHTWKMCXALI-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 133.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.67
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?

The IUPAC name of N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 67075657) is N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

What is the SMILES notation for N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?

The canonical SMILES for N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)c4cn[nH]c4)CC3)nc1-2.

What is the InChIKey of N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?

The InChIKey is CIGSHTWKMCXALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N9O2/c1-4-18-7-6-8-19(5-2)24(18)35-28(40)26-23-10-9-20-15-31-30(36-25(20)27(23)38(3)37-26)34-22-11-13-39(14-12-22)29(41)21-16-32-33-17-21/h6-8,15-17,22H,4-5,9-14H2,1-3H3,(H,32,33)(H,35,40)(H,31,34,36).

What are the key properties of N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?

N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 553.67 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 67075657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).