N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine

C21H22F4N6 — CID 122654433

IUPACN-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine
SMILESCc1cc(-n2c(C(C)C)nc3c(N(C)CCF)cc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C21H22F4N6/c1-11(2)19-28-18-15(30(4)6-5-22)9-16(21(23,24)25)27-20(18)31(19)14-7-12(3)17-13(8-14)10-26-29-17/h7-11H,5-6H2,1-4H3,(H,26,29)
InChIKeyOGCXZPUQQQTEFJ-UHFFFAOYSA-N
MW434.44 g/mol
LogP5.15
Rot. Bonds5

About N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine

N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 122654433) has the molecular formula C21H22F4N6 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine
PubChem CID122654433
Molecular FormulaC21H22F4N6
Molecular Weight434.44 g/mol
Exact Mass434.18
IUPAC NameN-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine
SMILESCc1cc(-n2c(C(C)C)nc3c(N(C)CCF)cc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C21H22F4N6/c1-11(2)19-28-18-15(30(4)6-5-22)9-16(21(23,24)25)27-20(18)31(19)14-7-12(3)17-13(8-14)10-26-29-17/h7-11H,5-6H2,1-4H3,(H,26,29)
InChIKeyOGCXZPUQQQTEFJ-UHFFFAOYSA-N
XLogP5.15
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine (CID 122654433) is N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine is Cc1cc(-n2c(C(C)C)nc3c(N(C)CCF)cc(C(F)(F)F)nc32)cc2cn[nH]c12.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is OGCXZPUQQQTEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N6/c1-11(2)19-28-18-15(30(4)6-5-22)9-16(21(23,24)25)27-20(18)31(19)14-7-12(3)17-13(8-14)10-26-29-17/h7-11H,5-6H2,1-4H3,(H,26,29).
What are the key properties of N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine?
N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 434.44 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 122654433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).