N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide

C21H18F3N7O2 — CID 25264029

IUPACN-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCn1ccnc1NC(=O)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C21H18F3N7O2/c1-30-8-6-25-19(30)29-18(32)14-5-7-31-16(11-26-17(31)10-14)13-3-2-4-15(9-13)28-20(33)27-12-21(22,23)24/h2-11H,12H2,1H3,(H,25,29,32)(H2,27,28,33)
InChIKeySVZOBUGLMCCIQZ-UHFFFAOYSA-N
MW457.42 g/mol
LogP3.67
Rot. Bonds5

About N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide

N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 25264029) has the molecular formula C21H18F3N7O2 and a molecular weight of 457.42 g/mol. Its IUPAC name is N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID25264029
Molecular FormulaC21H18F3N7O2
Molecular Weight457.42 g/mol
Exact Mass457.15
IUPAC NameN-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCn1ccnc1NC(=O)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C21H18F3N7O2/c1-30-8-6-25-19(30)29-18(32)14-5-7-31-16(11-26-17(31)10-14)13-3-2-4-15(9-13)28-20(33)27-12-21(22,23)24/h2-11H,12H2,1H3,(H,25,29,32)(H2,27,28,33)
InChIKeySVZOBUGLMCCIQZ-UHFFFAOYSA-N
XLogP3.67
TPSA105.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.42
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321130
1-[3-[7-[1-(methoxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 123311856
1-[3-(7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320981
N-ethyl-3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide;formic acid
CID 68595103
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
1-[3-[7-(N-iminocarbamimidoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 143707202
[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]boronic acid
CID 59320848
1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990
ethanimidoyl 3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboximidothioate
CID 143706948
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-[3-[7-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 138541503
1-[3-[7-(5-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320951

Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 25264029) is N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide is Cn1ccnc1NC(=O)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.
What is the InChIKey of N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is SVZOBUGLMCCIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O2/c1-30-8-6-25-19(30)29-18(32)14-5-7-31-16(11-26-17(31)10-14)13-3-2-4-15(9-13)28-20(33)27-12-21(22,23)24/h2-11H,12H2,1H3,(H,25,29,32)(H2,27,28,33).
What are the key properties of N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 457.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylimidazol-2-yl)-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 25264029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).