3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C22H18ClFN6 — CID 24561527

IUPAC3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1nn2c(nc(NC(c3ccccc3F)c3nccn3C)c3ccccc32)c1Cl
InChIInChI=1S/C22H18ClFN6/c1-13-18(23)21-27-20(15-8-4-6-10-17(15)30(21)28-13)26-19(22-25-11-12-29(22)2)14-7-3-5-9-16(14)24/h3-12,19H,1-2H3,(H,26,27)
InChIKeyJRMVSJQBHZFSAI-UHFFFAOYSA-N
MW420.88 g/mol
LogP4.92
Rot. Bonds4

About 3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 24561527) has the molecular formula C22H18ClFN6 and a molecular weight of 420.88 g/mol. Its IUPAC name is 3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID24561527
Molecular FormulaC22H18ClFN6
Molecular Weight420.88 g/mol
Exact Mass420.13
IUPAC Name3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1nn2c(nc(NC(c3ccccc3F)c3nccn3C)c3ccccc32)c1Cl
InChIInChI=1S/C22H18ClFN6/c1-13-18(23)21-27-20(15-8-4-6-10-17(15)30(21)28-13)26-19(22-25-11-12-29(22)2)14-7-3-5-9-16(14)24/h3-12,19H,1-2H3,(H,26,27)
InChIKeyJRMVSJQBHZFSAI-UHFFFAOYSA-N
XLogP4.92
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)hydrazine
CID 60919533
4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 18109066
2,3-dichloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923192
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
1-(4-chlorophenyl)-3-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17489943
1-(4-chlorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430473
3-[(1S)-1-[(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]benzenesulfonamide
CID 51927772
2-chloro-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-nitroaniline
CID 25367813
2-(2-chlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953992
1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36517557
2-(2,6-dichlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25325328
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25346268

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 24561527) is 3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is Cc1nn2c(nc(NC(c3ccccc3F)c3nccn3C)c3ccccc32)c1Cl.
What is the InChIKey of 3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is JRMVSJQBHZFSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN6/c1-13-18(23)21-27-20(15-8-4-6-10-17(15)30(21)28-13)26-19(22-25-11-12-29(22)2)14-7-3-5-9-16(14)24/h3-12,19H,1-2H3,(H,26,27).
What are the key properties of 3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 420.88 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 24561527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).