4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline

C17H18ClN5 — CID 169231151

IUPAC4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline
SMILESCN1CCC(n2cc(-c3ccc4c(Cl)ncnc4c3)cn2)CC1
InChIInChI=1S/C17H18ClN5/c1-22-6-4-14(5-7-22)23-10-13(9-21-23)12-2-3-15-16(8-12)19-11-20-17(15)18/h2-3,8-11,14H,4-7H2,1H3
InChIKeyINWFUDBZLXJCCU-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.41
Rot. Bonds2

About 4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline

4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline (PubChem CID 169231151) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline.

Molecular Properties

Compound Name4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline
PubChem CID169231151
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline
SMILESCN1CCC(n2cc(-c3ccc4c(Cl)ncnc4c3)cn2)CC1
InChIInChI=1S/C17H18ClN5/c1-22-6-4-14(5-7-22)23-10-13(9-21-23)12-2-3-15-16(8-12)19-11-20-17(15)18/h2-3,8-11,14H,4-7H2,1H3
InChIKeyINWFUDBZLXJCCU-UHFFFAOYSA-N
XLogP3.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
Piperidinyl triazole derivative 1
CID 53497458
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimidin-5-yl)quinoline
CID 11723422
2-(1-methyl-1H-imidazol-2-yl)-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridine
CID 118660604
6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[(2S)-2-methyl-1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 156305037
N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539360
6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 166632036
2-{4-[(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]piperazino}pyrimidine
CID 1484420
N-(4-chlorobenzyl)-4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 10125875
2-(4-Cyclopropyl-piperazin-1-yl)-6-pyrazol-1-yl-quinoline
CID 11303905
2-(3-Chlorophenyl)-3-[2-[3-(dimethylamino)propylamino]-4-pyrimidinyl]-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 11719845

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline?
The IUPAC name of 4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline (CID 169231151) is 4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline.
What is the SMILES notation for 4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline?
The canonical SMILES for 4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline is CN1CCC(n2cc(-c3ccc4c(Cl)ncnc4c3)cn2)CC1.
What is the InChIKey of 4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline?
The InChIKey is INWFUDBZLXJCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c1-22-6-4-14(5-7-22)23-10-13(9-21-23)12-2-3-15-16(8-12)19-11-20-17(15)18/h2-3,8-11,14H,4-7H2,1H3.
What are the key properties of 4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline?
4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline has a molecular weight of 327.82 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline is sourced from PubChem (CID 169231151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).