6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline

C21H14F2N6 — CID 23537583

IUPAC6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline
SMILESCc1ccn(-c2ncnc3ccc(-c4cn[nH]c4-c4c(F)cccc4F)cc23)n1
InChIInChI=1S/C21H14F2N6/c1-12-7-8-29(28-12)21-14-9-13(5-6-18(14)24-11-25-21)15-10-26-27-20(15)19-16(22)3-2-4-17(19)23/h2-11H,1H3,(H,26,27)
InChIKeySSHRRFNBSZUGOB-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.46
Rot. Bonds3

About 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline

6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline (PubChem CID 23537583) has the molecular formula C21H14F2N6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline.

Molecular Properties

Compound Name6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline
PubChem CID23537583
Molecular FormulaC21H14F2N6
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC Name6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline
SMILESCc1ccn(-c2ncnc3ccc(-c4cn[nH]c4-c4c(F)cccc4F)cc23)n1
InChIInChI=1S/C21H14F2N6/c1-12-7-8-29(28-12)21-14-9-13(5-6-18(14)24-11-25-21)15-10-26-27-20(15)19-16(22)3-2-4-17(19)23/h2-11H,1H3,(H,26,27)
InChIKeySSHRRFNBSZUGOB-UHFFFAOYSA-N
XLogP4.46
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline?
The IUPAC name of 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline (CID 23537583) is 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline.
What is the SMILES notation for 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline?
The canonical SMILES for 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline is Cc1ccn(-c2ncnc3ccc(-c4cn[nH]c4-c4c(F)cccc4F)cc23)n1.
What is the InChIKey of 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline?
The InChIKey is SSHRRFNBSZUGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6/c1-12-7-8-29(28-12)21-14-9-13(5-6-18(14)24-11-25-21)15-10-26-27-20(15)19-16(22)3-2-4-17(19)23/h2-11H,1H3,(H,26,27).
What are the key properties of 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline?
6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline has a molecular weight of 388.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-4-(3-methylpyrazol-1-yl)quinazoline is sourced from PubChem (CID 23537583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).