6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline

C28H21FN6 — CID 25145516

IUPAC6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
SMILESCn1cc(-c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2F)cn1
InChIInChI=1S/C28H21FN6/c1-34-16-21(14-33-34)23-6-4-18(12-24(23)29)20-13-31-27-32-15-26(35(27)17-20)28(8-9-28)22-5-7-25-19(11-22)3-2-10-30-25/h2-7,10-17H,8-9H2,1H3
InChIKeyIPEVYCKTZNKJFI-UHFFFAOYSA-N
MW460.52 g/mol
LogP5.56
Rot. Bonds4

About 6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline

6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline (PubChem CID 25145516) has the molecular formula C28H21FN6 and a molecular weight of 460.52 g/mol. Its IUPAC name is 6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline.

Molecular Properties

Compound Name6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
PubChem CID25145516
Molecular FormulaC28H21FN6
Molecular Weight460.52 g/mol
Exact Mass460.18
IUPAC Name6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
SMILESCn1cc(-c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2F)cn1
InChIInChI=1S/C28H21FN6/c1-34-16-21(14-33-34)23-6-4-18(12-24(23)29)20-13-31-27-32-15-26(35(27)17-20)28(8-9-28)22-5-7-25-19(11-22)3-2-10-30-25/h2-7,10-17H,8-9H2,1H3
InChIKeyIPEVYCKTZNKJFI-UHFFFAOYSA-N
XLogP5.56
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.52
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The IUPAC name of 6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline (CID 25145516) is 6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline.
What is the SMILES notation for 6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The canonical SMILES for 6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline is Cn1cc(-c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2F)cn1.
What is the InChIKey of 6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The InChIKey is IPEVYCKTZNKJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN6/c1-34-16-21(14-33-34)23-6-4-18(12-24(23)29)20-13-31-27-32-15-26(35(27)17-20)28(8-9-28)22-5-7-25-19(11-22)3-2-10-30-25/h2-7,10-17H,8-9H2,1H3.
What are the key properties of 6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline has a molecular weight of 460.52 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline is sourced from PubChem (CID 25145516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).