1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea

C17H14F3N9O — CID 59321094

IUPAC1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCn1nnc(-c2ccn3c(-c4cncc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1
InChIInChI=1S/C17H14F3N9O/c1-28-26-15(25-27-28)10-2-3-29-13(8-22-14(29)5-10)11-4-12(7-21-6-11)24-16(30)23-9-17(18,19)20/h2-8H,9H2,1H3,(H2,23,24,30)
InChIKeyIYGHPHWIRWFKMV-UHFFFAOYSA-N
MW417.36 g/mol
LogP2.27
Rot. Bonds4

About 1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea

1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59321094) has the molecular formula C17H14F3N9O and a molecular weight of 417.36 g/mol. Its IUPAC name is 1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59321094
Molecular FormulaC17H14F3N9O
Molecular Weight417.36 g/mol
Exact Mass417.13
IUPAC Name1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCn1nnc(-c2ccn3c(-c4cncc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1
InChIInChI=1S/C17H14F3N9O/c1-28-26-15(25-27-28)10-2-3-29-13(8-22-14(29)5-10)11-4-12(7-21-6-11)24-16(30)23-9-17(18,19)20/h2-8H,9H2,1H3,(H2,23,24,30)
InChIKeyIYGHPHWIRWFKMV-UHFFFAOYSA-N
XLogP2.27
TPSA114.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990
1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321130
1-[3-[7-(5-methyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320919
1-[3-[7-(5-amino-4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 86766770
1-[3-[7-[5-fluoro-4-(methylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2,2,2-trifluoroacetic acid
CID 138541469
1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321137
1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,2,5-trimethylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;hydrochloride
CID 68595412
1-[3-[7-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321115
1-[3-[7-(2,4-dimethyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321020
1-[3-[7-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321119
1-[3-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321171

Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea (CID 59321094) is 1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea is Cn1nnc(-c2ccn3c(-c4cncc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1.
What is the InChIKey of 1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is IYGHPHWIRWFKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N9O/c1-28-26-15(25-27-28)10-2-3-29-13(8-22-14(29)5-10)11-4-12(7-21-6-11)24-16(30)23-9-17(18,19)20/h2-8H,9H2,1H3,(H2,23,24,30).
What are the key properties of 1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 417.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[7-(2-methyltetrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59321094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).