N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride

C26H34ClN7O — CID 44555920

IUPACN-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride
SMILESCCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(NC3CCNCC3)nc1-2.Cl
InChIInChI=1S/C26H33N7O.ClH/c1-4-16-7-6-8-17(5-2)21(16)30-25(34)23-20-10-9-18-15-28-26(29-19-11-13-27-14-12-19)31-22(18)24(20)33(3)32-23;/h6-8,15,19,27H,4-5,9-14H2,1-3H3,(H,30,34)(H,28,29,31);1H
InChIKeyQWJCTVLNCRBDMF-UHFFFAOYSA-N
MW496.06 g/mol
LogP3.94
Rot. Bonds6

About N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride

N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride (PubChem CID 44555920) has the molecular formula C26H34ClN7O and a molecular weight of 496.06 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride
PubChem CID44555920
Molecular FormulaC26H34ClN7O
Molecular Weight496.06 g/mol
Exact Mass495.25
IUPAC NameN-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride
SMILESCCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(NC3CCNCC3)nc1-2.Cl
InChIInChI=1S/C26H33N7O.ClH/c1-4-16-7-6-8-17(5-2)21(16)30-25(34)23-20-10-9-18-15-28-26(29-19-11-13-27-14-12-19)31-22(18)24(20)33(3)32-23;/h6-8,15,19,27H,4-5,9-14H2,1-3H3,(H,30,34)(H,28,29,31);1H
InChIKeyQWJCTVLNCRBDMF-UHFFFAOYSA-N
XLogP3.94
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.06
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride (CID 44555920) is N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride is CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(NC3CCNCC3)nc1-2.Cl.
What is the InChIKey of N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride?
The InChIKey is QWJCTVLNCRBDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O.ClH/c1-4-16-7-6-8-17(5-2)21(16)30-25(34)23-20-10-9-18-15-28-26(29-19-11-13-27-14-12-19)31-22(18)24(20)33(3)32-23;/h6-8,15,19,27H,4-5,9-14H2,1-3H3,(H,30,34)(H,28,29,31);1H.
What are the key properties of N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride?
N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride has a molecular weight of 496.06 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 44555920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).