N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

C29H34N10O — CID 71664476

About N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 71664476) has the molecular formula C29H34N10O and a molecular weight of 538.66 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

• Compound Name: N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• PubChem CID: 71664476
• Molecular Formula: C29H34N10O
• Molecular Weight: 538.66 g/mol
• Exact Mass: 538.29
• IUPAC Name: N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• SMILES: COCCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCN(C)C)n5)nc3-4)cc2)cn1
• InChI: InChI=1S/C29H34N10O/c1-36(2)13-14-38-12-11-25(35-38)32-29-30-17-22-9-10-24-26(27(22)33-29)28(37(3)34-24)21-7-5-20(6-8-21)23-18-31-39(19-23)15-16-40-4/h5-8,11-12,17-19H,9-10,13-16H2,1-4H3,(H,30,32,33,35)
• InChIKey: OWPFZNYKPFPFIT-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 103.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.66
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?

The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 71664476) is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?

The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is COCCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCN(C)C)n5)nc3-4)cc2)cn1.

What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?

The InChIKey is OWPFZNYKPFPFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N10O/c1-36(2)13-14-38-12-11-25(35-38)32-29-30-17-22-9-10-24-26(27(22)33-29)28(37(3)34-24)21-7-5-20(6-8-21)23-18-31-39(19-23)15-16-40-4/h5-8,11-12,17-19H,9-10,13-16H2,1-4H3,(H,30,32,33,35).

What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 538.66 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-9-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 71664476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).