[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone

C19H22ClN7O — CID 135198838

IUPAC[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCc1cc(Nc2nc(C(=O)N3CC(C)NC(C)C3)nc3ccc(Cl)cc23)n[nH]1
InChIInChI=1S/C19H22ClN7O/c1-10-6-16(26-25-10)23-17-14-7-13(20)4-5-15(14)22-18(24-17)19(28)27-8-11(2)21-12(3)9-27/h4-7,11-12,21H,8-9H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyDCSCGJBLXPXCMB-UHFFFAOYSA-N
MW399.89 g/mol
LogP2.88
Rot. Bonds3

About [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone

[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone (PubChem CID 135198838) has the molecular formula C19H22ClN7O and a molecular weight of 399.89 g/mol. Its IUPAC name is [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone
PubChem CID135198838
Molecular FormulaC19H22ClN7O
Molecular Weight399.89 g/mol
Exact Mass399.16
IUPAC Name[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCc1cc(Nc2nc(C(=O)N3CC(C)NC(C)C3)nc3ccc(Cl)cc23)n[nH]1
InChIInChI=1S/C19H22ClN7O/c1-10-6-16(26-25-10)23-17-14-7-13(20)4-5-15(14)22-18(24-17)19(28)27-8-11(2)21-12(3)9-27/h4-7,11-12,21H,8-9H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyDCSCGJBLXPXCMB-UHFFFAOYSA-N
XLogP2.88
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 132274772
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 137348710
N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 135397887
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 134817245
(4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone
CID 135198759
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 135198764
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 135198771
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
CID 135198778
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 135198783
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
CID 135198787
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 135198795
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(2R)-2-methylpiperazin-1-yl]methanone
CID 135198796

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone (CID 135198838) is [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone is Cc1cc(Nc2nc(C(=O)N3CC(C)NC(C)C3)nc3ccc(Cl)cc23)n[nH]1.
What is the InChIKey of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is DCSCGJBLXPXCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7O/c1-10-6-16(26-25-10)23-17-14-7-13(20)4-5-15(14)22-18(24-17)19(28)27-8-11(2)21-12(3)9-27/h4-7,11-12,21H,8-9H2,1-3H3,(H2,22,23,24,25,26).
What are the key properties of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone?
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 399.89 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 135198838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).