6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

C19H17BrFN7 — CID 139344823

IUPAC6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESFc1cc2ncc(-c3nccc(N4CCCC(c5cn[nH]c5)C4)n3)n2cc1Br
InChIInChI=1S/C19H17BrFN7/c20-14-11-28-16(9-23-18(28)6-15(14)21)19-22-4-3-17(26-19)27-5-1-2-12(10-27)13-7-24-25-8-13/h3-4,6-9,11-12H,1-2,5,10H2,(H,24,25)
InChIKeyYTPIIOIDOQMKLN-UHFFFAOYSA-N
MW442.30 g/mol
LogP3.80
Rot. Bonds3

About 6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 139344823) has the molecular formula C19H17BrFN7 and a molecular weight of 442.30 g/mol. Its IUPAC name is 6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID139344823
Molecular FormulaC19H17BrFN7
Molecular Weight442.30 g/mol
Exact Mass441.07
IUPAC Name6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESFc1cc2ncc(-c3nccc(N4CCCC(c5cn[nH]c5)C4)n3)n2cc1Br
InChIInChI=1S/C19H17BrFN7/c20-14-11-28-16(9-23-18(28)6-15(14)21)19-22-4-3-17(26-19)27-5-1-2-12(10-27)13-7-24-25-8-13/h3-4,6-9,11-12H,1-2,5,10H2,(H,24,25)
InChIKeyYTPIIOIDOQMKLN-UHFFFAOYSA-N
XLogP3.80
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (CID 139344823) is 6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is Fc1cc2ncc(-c3nccc(N4CCCC(c5cn[nH]c5)C4)n3)n2cc1Br.
What is the InChIKey of 6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is YTPIIOIDOQMKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN7/c20-14-11-28-16(9-23-18(28)6-15(14)21)19-22-4-3-17(26-19)27-5-1-2-12(10-27)13-7-24-25-8-13/h3-4,6-9,11-12H,1-2,5,10H2,(H,24,25).
What are the key properties of 6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 442.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).