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

C27H30N10 — CID 71664500

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

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 71664500) has the molecular formula C27H30N10 and a molecular weight of 494.61 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

• Compound Name: N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• PubChem CID: 71664500
• Molecular Formula: C27H30N10
• Molecular Weight: 494.61 g/mol
• Exact Mass: 494.27
• IUPAC Name: N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
• SMILES: CN(C)CCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)cn1
• InChI: InChI=1S/C27H30N10/c1-34(2)11-12-37-17-22(15-30-37)31-27-28-13-20-9-10-23-24(25(20)32-27)26(36(4)33-23)19-7-5-18(6-8-19)21-14-29-35(3)16-21/h5-8,13-17H,9-12H2,1-4H3,(H,28,31,32)
• InChIKey: RHENXWJKGMRHEV-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 94.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.61
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 71664500) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

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

The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is CN(C)CCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)cn1.

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

The InChIKey is RHENXWJKGMRHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N10/c1-34(2)11-12-37-17-22(15-30-37)31-27-28-13-20-9-10-23-24(25(20)32-27)26(36(4)33-23)19-7-5-18(6-8-19)21-14-29-35(3)16-21/h5-8,13-17H,9-12H2,1-4H3,(H,28,31,32).

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

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 494.61 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 71664500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).