[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone

C19H20ClN7O — CID 135198787

IUPAC[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1nc(Nc2cc(C3CC3)[nH]n2)c2cc(Cl)ccc2n1)N1CCNCC1
InChIInChI=1S/C19H20ClN7O/c20-12-3-4-14-13(9-12)17(23-16-10-15(25-26-16)11-1-2-11)24-18(22-14)19(28)27-7-5-21-6-8-27/h3-4,9-11,21H,1-2,5-8H2,(H2,22,23,24,25,26)
InChIKeyJCJFEWWMFMUUJZ-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.67
Rot. Bonds4

About [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone

[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone (PubChem CID 135198787) has the molecular formula C19H20ClN7O and a molecular weight of 397.87 g/mol. Its IUPAC name is [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
PubChem CID135198787
Molecular FormulaC19H20ClN7O
Molecular Weight397.87 g/mol
Exact Mass397.14
IUPAC Name[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1nc(Nc2cc(C3CC3)[nH]n2)c2cc(Cl)ccc2n1)N1CCNCC1
InChIInChI=1S/C19H20ClN7O/c20-12-3-4-14-13(9-12)17(23-16-10-15(25-26-16)11-1-2-11)24-18(22-14)19(28)27-7-5-21-6-8-27/h3-4,9-11,21H,1-2,5-8H2,(H2,22,23,24,25,26)
InChIKeyJCJFEWWMFMUUJZ-UHFFFAOYSA-N
XLogP2.67
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone with MolForge

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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
[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-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
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-ethylpiperazin-1-yl]methanone
CID 135198799
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 135198838

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone (CID 135198787) is [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone is O=C(c1nc(Nc2cc(C3CC3)[nH]n2)c2cc(Cl)ccc2n1)N1CCNCC1.
What is the InChIKey of [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is JCJFEWWMFMUUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7O/c20-12-3-4-14-13(9-12)17(23-16-10-15(25-26-16)11-1-2-11)24-18(22-14)19(28)27-7-5-21-6-8-27/h3-4,9-11,21H,1-2,5-8H2,(H2,22,23,24,25,26).
What are the key properties of [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone?
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 397.87 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 135198787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).