9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

C21H20ClN7 — CID 56602972

IUPAC9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCC1Cc2nn(C)c(-c3ccccc3Cl)c2-c2nc(Nc3ccn(C)n3)ncc21
InChIInChI=1S/C21H20ClN7/c1-12-10-16-18(20(29(3)26-16)13-6-4-5-7-15(13)22)19-14(12)11-23-21(25-19)24-17-8-9-28(2)27-17/h4-9,11-12H,10H2,1-3H3,(H,23,24,25,27)
InChIKeyLMPVIPNEQZEESQ-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.33
Rot. Bonds3

About 9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 56602972) has the molecular formula C21H20ClN7 and a molecular weight of 405.89 g/mol. Its IUPAC name is 9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID56602972
Molecular FormulaC21H20ClN7
Molecular Weight405.89 g/mol
Exact Mass405.15
IUPAC Name9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCC1Cc2nn(C)c(-c3ccccc3Cl)c2-c2nc(Nc3ccn(C)n3)ncc21
InChIInChI=1S/C21H20ClN7/c1-12-10-16-18(20(29(3)26-16)13-6-4-5-7-15(13)22)19-14(12)11-23-21(25-19)24-17-8-9-28(2)27-17/h4-9,11-12H,10H2,1-3H3,(H,23,24,25,27)
InChIKeyLMPVIPNEQZEESQ-UHFFFAOYSA-N
XLogP4.33
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 56602972) is 9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is CC1Cc2nn(C)c(-c3ccccc3Cl)c2-c2nc(Nc3ccn(C)n3)ncc21.
What is the InChIKey of 9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is LMPVIPNEQZEESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7/c1-12-10-16-18(20(29(3)26-16)13-6-4-5-7-15(13)22)19-14(12)11-23-21(25-19)24-17-8-9-28(2)27-17/h4-9,11-12H,10H2,1-3H3,(H,23,24,25,27).
What are the key properties of 9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 405.89 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chlorophenyl)-5,8-dimethyl-N-(1-methylpyrazol-3-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 56602972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).