5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile

C22H20FN7O — CID 171830503

IUPAC5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(OC(C)c3ccc(F)cn3)n3c(C#N)cnc3c2)nn2c1CNCC2
InChIInChI=1S/C22H20FN7O/c1-13-19-12-25-5-6-29(19)28-22(13)15-7-20-27-11-17(9-24)30(20)21(8-15)31-14(2)18-4-3-16(23)10-26-18/h3-4,7-8,10-11,14,25H,5-6,12H2,1-2H3
InChIKeyNMJTUSHHDYVMSO-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.16
Rot. Bonds4

About 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile

5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 171830503) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID171830503
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC Name5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(OC(C)c3ccc(F)cn3)n3c(C#N)cnc3c2)nn2c1CNCC2
InChIInChI=1S/C22H20FN7O/c1-13-19-12-25-5-6-29(19)28-22(13)15-7-20-27-11-17(9-24)30(20)21(8-15)31-14(2)18-4-3-16(23)10-26-18/h3-4,7-8,10-11,14,25H,5-6,12H2,1-2H3
InChIKeyNMJTUSHHDYVMSO-UHFFFAOYSA-N
XLogP3.16
TPSA93.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 171830503) is 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile is Cc1c(-c2cc(OC(C)c3ccc(F)cn3)n3c(C#N)cnc3c2)nn2c1CNCC2.
What is the InChIKey of 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is NMJTUSHHDYVMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c1-13-19-12-25-5-6-29(19)28-22(13)15-7-20-27-11-17(9-24)30(20)21(8-15)31-14(2)18-4-3-16(23)10-26-18/h3-4,7-8,10-11,14,25H,5-6,12H2,1-2H3.
What are the key properties of 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 417.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171830503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).