2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

C21H19F3N8 — CID 146591648

IUPAC2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n3ccnc3c2)cn1
InChIInChI=1S/C21H19F3N8/c1-29-10-16(8-27-29)15-6-18(31-5-4-26-19(31)7-15)17-9-28-32(11-17)20(2-3-25)12-30(13-20)14-21(22,23)24/h4-11H,2,12-14H2,1H3
InChIKeyCKAYRDAFVZIXKY-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.09
Rot. Bonds5

About 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (PubChem CID 146591648) has the molecular formula C21H19F3N8 and a molecular weight of 440.43 g/mol. Its IUPAC name is 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
PubChem CID146591648
Molecular FormulaC21H19F3N8
Molecular Weight440.43 g/mol
Exact Mass440.17
IUPAC Name2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n3ccnc3c2)cn1
InChIInChI=1S/C21H19F3N8/c1-29-10-16(8-27-29)15-6-18(31-5-4-26-19(31)7-15)17-9-28-32(11-17)20(2-3-25)12-30(13-20)14-21(22,23)24/h4-11H,2,12-14H2,1H3
InChIKeyCKAYRDAFVZIXKY-UHFFFAOYSA-N
XLogP3.09
TPSA79.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (CID 146591648) is 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is Cn1cc(-c2cc(-c3cnn(C4(CC#N)CN(CC(F)(F)F)C4)c3)n3ccnc3c2)cn1.
What is the InChIKey of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
The InChIKey is CKAYRDAFVZIXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N8/c1-29-10-16(8-27-29)15-6-18(31-5-4-26-19(31)7-15)17-9-28-32(11-17)20(2-3-25)12-30(13-20)14-21(22,23)24/h4-11H,2,12-14H2,1H3.
What are the key properties of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?
2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile has a molecular weight of 440.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 146591648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).