6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline

C26H18ClN5S — CID 3619812

IUPAC6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline
SMILESClc1ccc2nc(N3N=C(c4cccs4)CC3c3ccccn3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C26H18ClN5S/c27-18-11-12-20-19(15-18)25(17-7-2-1-3-8-17)30-26(29-20)32-23(21-9-4-5-13-28-21)16-22(31-32)24-10-6-14-33-24/h1-15,23H,16H2
InChIKeyGKOZUKLZJHGIFI-UHFFFAOYSA-N
MW467.99 g/mol
LogP6.76
Rot. Bonds4

About 6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline

6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline (PubChem CID 3619812) has the molecular formula C26H18ClN5S and a molecular weight of 467.99 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline.

Molecular Properties

Compound Name6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline
PubChem CID3619812
Molecular FormulaC26H18ClN5S
Molecular Weight467.99 g/mol
Exact Mass467.10
IUPAC Name6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline
SMILESClc1ccc2nc(N3N=C(c4cccs4)CC3c3ccccn3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C26H18ClN5S/c27-18-11-12-20-19(15-18)25(17-7-2-1-3-8-17)30-26(29-20)32-23(21-9-4-5-13-28-21)16-22(31-32)24-10-6-14-33-24/h1-15,23H,16H2
InChIKeyGKOZUKLZJHGIFI-UHFFFAOYSA-N
XLogP6.76
TPSA54.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.99
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline?
The IUPAC name of 6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline (CID 3619812) is 6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline.
What is the SMILES notation for 6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline?
The canonical SMILES for 6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline is Clc1ccc2nc(N3N=C(c4cccs4)CC3c3ccccn3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline?
The InChIKey is GKOZUKLZJHGIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN5S/c27-18-11-12-20-19(15-18)25(17-7-2-1-3-8-17)30-26(29-20)32-23(21-9-4-5-13-28-21)16-22(31-32)24-10-6-14-33-24/h1-15,23H,16H2.
What are the key properties of 6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline?
6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline has a molecular weight of 467.99 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-2-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)quinazoline is sourced from PubChem (CID 3619812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).