N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C38H45F3N12 — CID 157248532

IUPACN-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cc(C2CN(CC(F)(F)F)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CNC2)ncc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C20H23F3N6.C18H22N6/c1-4-13-5-15(14-9-29(10-14)11-20(21,22)23)24-8-18(13)28(3)19-6-17-16(7-25-19)26-12-27(17)2;1-4-12-5-14(13-7-19-8-13)20-10-17(12)24(3)18-6-16-15(9-21-18)22-11-23(16)2/h5-8,12,14H,4,9-11H2,1-3H3;5-6,9-11,13,19H,4,7-8H2,1-3H3
InChIKeyAWBLEWJZNIVQIU-UHFFFAOYSA-N
MW726.86 g/mol
LogP6.04
Rot. Bonds9

About N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 157248532) has the molecular formula C38H45F3N12 and a molecular weight of 726.86 g/mol. Its IUPAC name is N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID157248532
Molecular FormulaC38H45F3N12
Molecular Weight726.86 g/mol
Exact Mass726.38
IUPAC NameN-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cc(C2CN(CC(F)(F)F)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CNC2)ncc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C20H23F3N6.C18H22N6/c1-4-13-5-15(14-9-29(10-14)11-20(21,22)23)24-8-18(13)28(3)19-6-17-16(7-25-19)26-12-27(17)2;1-4-12-5-14(13-7-19-8-13)20-10-17(12)24(3)18-6-16-15(9-21-18)22-11-23(16)2/h5-8,12,14H,4,9-11H2,1-3H3;5-6,9-11,13,19H,4,7-8H2,1-3H3
InChIKeyAWBLEWJZNIVQIU-UHFFFAOYSA-N
XLogP6.04
TPSA108.95 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500726.86
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine with MolForge

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Related Compounds

Abemaciclib
CID 46220502
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
9-Cyclopentyl-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrido[4,5]pyrrolo[1,2-D]pyrimidin-2-Amine
CID 44132585
US11420970, Example 198
CID 156073186
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}pyridin-2-ylamine
CID 24745530
4-[2-(4-Fluorophenyl)-7-piperidin-4-ylimidazo-[1,2-a]pyridin-3-yl]piperidin-2-ylamine
CID 24887418
4-[7-[[2-(azetidin-1-yl)ethyl-methylamino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 44431990
4-(7-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-isopropylpyrimidin-2-amine
CID 44432009
8-(4-methylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299617
8-(4,4-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299870

Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 157248532) is N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CCc1cc(C2CN(CC(F)(F)F)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2CNC2)ncc1N(C)c1cc2c(cn1)ncn2C.
What is the InChIKey of N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is AWBLEWJZNIVQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6.C18H22N6/c1-4-13-5-15(14-9-29(10-14)11-20(21,22)23)24-8-18(13)28(3)19-6-17-16(7-25-19)26-12-27(17)2;1-4-12-5-14(13-7-19-8-13)20-10-17(12)24(3)18-6-16-15(9-21-18)22-11-23(16)2/h5-8,12,14H,4,9-11H2,1-3H3;5-6,9-11,13,19H,4,7-8H2,1-3H3.
What are the key properties of N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 726.86 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-ethyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 157248532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).