ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C24H27FN6 — CID 142321835

IUPACethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC.C[C@@H]1CCCc2nc(-c3ccc(F)cn3)c(-c3ccnc(-c4cnn(C)c4)c3)n21
InChIInChI=1S/C22H21FN6.C2H6/c1-14-4-3-5-20-27-21(18-7-6-17(23)12-25-18)22(29(14)20)15-8-9-24-19(10-15)16-11-26-28(2)13-16;1-2/h6-14H,3-5H2,1-2H3;1-2H3/t14-;/m1./s1
InChIKeyHVTFVOKHYCGCKE-PFEQFJNWSA-N
MW418.52 g/mol
LogP5.47
Rot. Bonds3

About ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 142321835) has the molecular formula C24H27FN6 and a molecular weight of 418.52 g/mol. Its IUPAC name is ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID142321835
Molecular FormulaC24H27FN6
Molecular Weight418.52 g/mol
Exact Mass418.23
IUPAC Nameethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC.C[C@@H]1CCCc2nc(-c3ccc(F)cn3)c(-c3ccnc(-c4cnn(C)c4)c3)n21
InChIInChI=1S/C22H21FN6.C2H6/c1-14-4-3-5-20-27-21(18-7-6-17(23)12-25-18)22(29(14)20)15-8-9-24-19(10-15)16-11-26-28(2)13-16;1-2/h6-14H,3-5H2,1-2H3;1-2H3/t14-;/m1./s1
InChIKeyHVTFVOKHYCGCKE-PFEQFJNWSA-N
XLogP5.47
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine with MolForge

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Related Compounds

ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine
CID 142321805
11-(1-methylpyrazol-4-yl)-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
CID 145157569
2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide
CID 153326742
[2-(1-methylpyrazol-4-yl)-4-pyridinyl]hydrazine
CID 102825252
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 122245906
1-(1-cyclopentyl-5-methylpyrazol-4-yl)-3-[2,3-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 66728807
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137111285
(2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
CID 146460914
N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635424
2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 141415020
4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine
CID 90402691

Frequently Asked Questions

What is the IUPAC name of ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 142321835) is ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CC.C[C@@H]1CCCc2nc(-c3ccc(F)cn3)c(-c3ccnc(-c4cnn(C)c4)c3)n21.
What is the InChIKey of ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is HVTFVOKHYCGCKE-PFEQFJNWSA-N. The full InChI is InChI=1S/C22H21FN6.C2H6/c1-14-4-3-5-20-27-21(18-7-6-17(23)12-25-18)22(29(14)20)15-8-9-24-19(10-15)16-11-26-28(2)13-16;1-2/h6-14H,3-5H2,1-2H3;1-2H3/t14-;/m1./s1.
What are the key properties of ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 418.52 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 142321835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).