6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline

C17H18FN5 — CID 133300706

IUPAC6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
SMILESCn1cc(C2CCN(c3ncnc4ccc(F)cc34)CC2)cn1
InChIInChI=1S/C17H18FN5/c1-22-10-13(9-21-22)12-4-6-23(7-5-12)17-15-8-14(18)2-3-16(15)19-11-20-17/h2-3,8-12H,4-7H2,1H3
InChIKeyKSYSZBYWWQBIRO-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.89
Rot. Bonds2

About 6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline

6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline (PubChem CID 133300706) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
PubChem CID133300706
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
SMILESCn1cc(C2CCN(c3ncnc4ccc(F)cc34)CC2)cn1
InChIInChI=1S/C17H18FN5/c1-22-10-13(9-21-22)12-4-6-23(7-5-12)17-15-8-14(18)2-3-16(15)19-11-20-17/h2-3,8-12H,4-7H2,1H3
InChIKeyKSYSZBYWWQBIRO-UHFFFAOYSA-N
XLogP2.89
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline?
The IUPAC name of 6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline (CID 133300706) is 6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline?
The canonical SMILES for 6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline is Cn1cc(C2CCN(c3ncnc4ccc(F)cc34)CC2)cn1.
What is the InChIKey of 6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline?
The InChIKey is KSYSZBYWWQBIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-22-10-13(9-21-22)12-4-6-23(7-5-12)17-15-8-14(18)2-3-16(15)19-11-20-17/h2-3,8-12H,4-7H2,1H3.
What are the key properties of 6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline?
6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline has a molecular weight of 311.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 133300706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).