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

C24H27N7O — CID 56602621

IUPACN-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCOCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C)c2)CC3)n1
InChIInChI=1S/C24H27N7O/c1-16-5-4-6-17(13-16)14-20-22-19(28-30(20)2)8-7-18-15-25-24(27-23(18)22)26-21-9-10-31(29-21)11-12-32-3/h4-6,9-10,13,15H,7-8,11-12,14H2,1-3H3,(H,25,26,27,29)
InChIKeyLWQUHXAZSAMKHS-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.46
Rot. Bonds7

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

N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 56602621) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID56602621
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCOCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C)c2)CC3)n1
InChIInChI=1S/C24H27N7O/c1-16-5-4-6-17(13-16)14-20-22-19(28-30(20)2)8-7-18-15-25-24(27-23(18)22)26-21-9-10-31(29-21)11-12-32-3/h4-6,9-10,13,15H,7-8,11-12,14H2,1-3H3,(H,25,26,27,29)
InChIKeyLWQUHXAZSAMKHS-UHFFFAOYSA-N
XLogP3.46
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 56602621) is N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C)c2)CC3)n1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is LWQUHXAZSAMKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16-5-4-6-17(13-16)14-20-22-19(28-30(20)2)8-7-18-15-25-24(27-23(18)22)26-21-9-10-31(29-21)11-12-32-3/h4-6,9-10,13,15H,7-8,11-12,14H2,1-3H3,(H,25,26,27,29).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 429.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-3-yl]-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 56602621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).