1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C21H19F3N6O — CID 59321136

IUPAC1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1n[nH]c(C)c1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C21H19F3N6O/c1-12-19(13(2)29-28-12)15-6-7-30-17(10-25-18(30)9-15)14-4-3-5-16(8-14)27-20(31)26-11-21(22,23)24/h3-10H,11H2,1-2H3,(H,28,29)(H2,26,27,31)
InChIKeyAXFBNBNZXAWNJP-UHFFFAOYSA-N
MW428.42 g/mol
LogP4.69
Rot. Bonds4

About 1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59321136) has the molecular formula C21H19F3N6O and a molecular weight of 428.42 g/mol. Its IUPAC name is 1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59321136
Molecular FormulaC21H19F3N6O
Molecular Weight428.42 g/mol
Exact Mass428.16
IUPAC Name1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1n[nH]c(C)c1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C21H19F3N6O/c1-12-19(13(2)29-28-12)15-6-7-30-17(10-25-18(30)9-15)14-4-3-5-16(8-14)27-20(31)26-11-21(22,23)24/h3-10H,11H2,1-2H3,(H,28,29)(H2,26,27,31)
InChIKeyAXFBNBNZXAWNJP-UHFFFAOYSA-N
XLogP4.69
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 59321136) is 1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is Cc1n[nH]c(C)c1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.
What is the InChIKey of 1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is AXFBNBNZXAWNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O/c1-12-19(13(2)29-28-12)15-6-7-30-17(10-25-18(30)9-15)14-4-3-5-16(8-14)27-20(31)26-11-21(22,23)24/h3-10H,11H2,1-2H3,(H,28,29)(H2,26,27,31).
What are the key properties of 1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 428.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(3,5-dimethyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59321136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).