4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline

C21H14N4 — CID 44223354

IUPAC4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
SMILESC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2
InChIInChI=1S/C21H14N4/c1-2-6-15(7-3-1)16-12-23-21-19(13-24-25(21)14-16)17-10-11-22-20-9-5-4-8-18(17)20/h1-14H
InChIKeyQBSQJJUIEKBBLE-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.80
Rot. Bonds2

About 4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline

4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline (PubChem CID 44223354) has the molecular formula C21H14N4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline.

Molecular Properties

Compound Name4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
PubChem CID44223354
Molecular FormulaC21H14N4
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
SMILESC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2
InChIInChI=1S/C21H14N4/c1-2-6-15(7-3-1)16-12-23-21-19(13-24-25(21)14-16)17-10-11-22-20-9-5-4-8-18(17)20/h1-14H
InChIKeyQBSQJJUIEKBBLE-UHFFFAOYSA-N
XLogP3.80
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity449

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sgx-523
CID 24779724
Pf-04217903
CID 17754438
6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
PP121
CID 24905142
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
R121919
CID 9821250
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Decoglurant
CID 71533696
6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6413301
PF-04254644
CID 24871823
1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338

Frequently Asked Questions

What is the IUPAC name of 4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The IUPAC name of 4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline (CID 44223354) is 4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline.
What is the SMILES notation for 4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The canonical SMILES for 4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline is C1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2.
What is the InChIKey of 4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The InChIKey is QBSQJJUIEKBBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4/c1-2-6-15(7-3-1)16-12-23-21-19(13-24-25(21)14-16)17-10-11-22-20-9-5-4-8-18(17)20/h1-14H.
What are the key properties of 4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline has a molecular weight of 322.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline is sourced from PubChem (CID 44223354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).