3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline

C19H20ClN7 — CID 43063325

IUPAC3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline
SMILESCc1nn2c(nc(N3CCCC(c4nncn4C)C3)c3ccccc32)c1Cl
InChIInChI=1S/C19H20ClN7/c1-12-16(20)19-22-18(14-7-3-4-8-15(14)27(19)24-12)26-9-5-6-13(10-26)17-23-21-11-25(17)2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyMUYHJVPKFOTMRK-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.36
Rot. Bonds2

About 3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline

3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline (PubChem CID 43063325) has the molecular formula C19H20ClN7 and a molecular weight of 381.87 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline
PubChem CID43063325
Molecular FormulaC19H20ClN7
Molecular Weight381.87 g/mol
Exact Mass381.15
IUPAC Name3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline
SMILESCc1nn2c(nc(N3CCCC(c4nncn4C)C3)c3ccccc32)c1Cl
InChIInChI=1S/C19H20ClN7/c1-12-16(20)19-22-18(14-7-3-4-8-15(14)27(19)24-12)26-9-5-6-13(10-26)17-23-21-11-25(17)2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKeyMUYHJVPKFOTMRK-UHFFFAOYSA-N
XLogP3.36
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (3R)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-3-carboxylate
CID 26009155
[1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 24607800
N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine
CID 95781713
3-chloro-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline
CID 22109194
(2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 93233854
2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 124883360
2-methyl-4-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 124885661
3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 42956348
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine
CID 51108750
2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 92856330
(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)hydrazine
CID 60919533
2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774237

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline?
The IUPAC name of 3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline (CID 43063325) is 3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline.
What is the SMILES notation for 3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline?
The canonical SMILES for 3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline is Cc1nn2c(nc(N3CCCC(c4nncn4C)C3)c3ccccc32)c1Cl.
What is the InChIKey of 3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline?
The InChIKey is MUYHJVPKFOTMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7/c1-12-16(20)19-22-18(14-7-3-4-8-15(14)27(19)24-12)26-9-5-6-13(10-26)17-23-21-11-25(17)2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline?
3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline has a molecular weight of 381.87 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline is sourced from PubChem (CID 43063325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).