6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline

C16H16FN5 — CID 133275711

IUPAC6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
SMILESFc1ccc2ncnc(N3CCCC(n4cccn4)C3)c2c1
InChIInChI=1S/C16H16FN5/c17-12-4-5-15-14(9-12)16(19-11-18-15)21-7-1-3-13(10-21)22-8-2-6-20-22/h2,4-6,8-9,11,13H,1,3,7,10H2
InChIKeyJZZSTPNERNDQKD-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.81
Rot. Bonds2

About 6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline

6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline (PubChem CID 133275711) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
PubChem CID133275711
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
SMILESFc1ccc2ncnc(N3CCCC(n4cccn4)C3)c2c1
InChIInChI=1S/C16H16FN5/c17-12-4-5-15-14(9-12)16(19-11-18-15)21-7-1-3-13(10-21)22-8-2-6-20-22/h2,4-6,8-9,11,13H,1,3,7,10H2
InChIKeyJZZSTPNERNDQKD-UHFFFAOYSA-N
XLogP2.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166606135
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603435
6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
CID 171702618
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
CID 133275794
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline?
The IUPAC name of 6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline (CID 133275711) is 6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline?
The canonical SMILES for 6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline is Fc1ccc2ncnc(N3CCCC(n4cccn4)C3)c2c1.
What is the InChIKey of 6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline?
The InChIKey is JZZSTPNERNDQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c17-12-4-5-15-14(9-12)16(19-11-18-15)21-7-1-3-13(10-21)22-8-2-6-20-22/h2,4-6,8-9,11,13H,1,3,7,10H2.
What are the key properties of 6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline?
6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline has a molecular weight of 297.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 133275711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).