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

C22H20ClN7O — CID 135199042

IUPAC[6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1nc(Nc2cc(-c3ccccc3)[nH]n2)c2cc(Cl)ccc2n1)N1CCNCC1
InChIInChI=1S/C22H20ClN7O/c23-15-6-7-17-16(12-15)20(27-21(25-17)22(31)30-10-8-24-9-11-30)26-19-13-18(28-29-19)14-4-2-1-3-5-14/h1-7,12-13,24H,8-11H2,(H2,25,26,27,28,29)
InChIKeyNNBGVCMPADTOET-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.46
Rot. Bonds4

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

[6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone (PubChem CID 135199042) has the molecular formula C22H20ClN7O and a molecular weight of 433.90 g/mol. Its IUPAC name is [6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
PubChem CID135199042
Molecular FormulaC22H20ClN7O
Molecular Weight433.90 g/mol
Exact Mass433.14
IUPAC Name[6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1nc(Nc2cc(-c3ccccc3)[nH]n2)c2cc(Cl)ccc2n1)N1CCNCC1
InChIInChI=1S/C22H20ClN7O/c23-15-6-7-17-16(12-15)20(27-21(25-17)22(31)30-10-8-24-9-11-30)26-19-13-18(28-29-19)14-4-2-1-3-5-14/h1-7,12-13,24H,8-11H2,(H2,25,26,27,28,29)
InChIKeyNNBGVCMPADTOET-UHFFFAOYSA-N
XLogP3.46
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 134817245
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
CID 135199155
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 82449120
[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(3-methylpiperazine-1-carbonyl)quinazolin-6-yl]boronic acid
CID 175214188
6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 134816680
pentyl (2R)-4-[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazoline-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 150850914
3-[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]benzamide
CID 134816434
1-[4-[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 134816427
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3R)-3-methylpiperazine-1-carbonyl]quinazolin-6-yl]-1-[4-(trifluoromethyl)piperidin-1-yl]prop-2-yn-1-one;hydrochloride
CID 175208246
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine
CID 139405714

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone (CID 135199042) is [6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone is O=C(c1nc(Nc2cc(-c3ccccc3)[nH]n2)c2cc(Cl)ccc2n1)N1CCNCC1.
What is the InChIKey of [6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is NNBGVCMPADTOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O/c23-15-6-7-17-16(12-15)20(27-21(25-17)22(31)30-10-8-24-9-11-30)26-19-13-18(28-29-19)14-4-2-1-3-5-14/h1-7,12-13,24H,8-11H2,(H2,25,26,27,28,29).
What are the key properties of [6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone?
[6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 433.90 g/mol, XLogP of 3.46, 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-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 135199042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).