5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine

C25H31F3N6O — CID 164900616

IUPAC5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine
SMILESCOCC1(CN(C)c2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)nc3nc(N)[nH]c23)CCCCC1
InChIInChI=1S/C25H31F3N6O/c1-34(13-24(14-35-2)8-4-3-5-9-24)19-12-18(31-22-21(19)32-23(29)33-22)16-10-17(15-6-7-15)30-20(11-16)25(26,27)28/h10-12,15H,3-9,13-14H2,1-2H3,(H3,29,31,32,33)
InChIKeyYGDBIDAWFBQARX-UHFFFAOYSA-N
MW488.56 g/mol
LogP5.53
Rot. Bonds7

About 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine

5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine (PubChem CID 164900616) has the molecular formula C25H31F3N6O and a molecular weight of 488.56 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine.

Molecular Properties

Compound Name5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine
PubChem CID164900616
Molecular FormulaC25H31F3N6O
Molecular Weight488.56 g/mol
Exact Mass488.25
IUPAC Name5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine
SMILESCOCC1(CN(C)c2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)nc3nc(N)[nH]c23)CCCCC1
InChIInChI=1S/C25H31F3N6O/c1-34(13-24(14-35-2)8-4-3-5-9-24)19-12-18(31-22-21(19)32-23(29)33-22)16-10-17(15-6-7-15)30-20(11-16)25(26,27)28/h10-12,15H,3-9,13-14H2,1-2H3,(H3,29,31,32,33)
InChIKeyYGDBIDAWFBQARX-UHFFFAOYSA-N
XLogP5.53
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine?
The IUPAC name of 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine (CID 164900616) is 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine.
What is the SMILES notation for 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine?
The canonical SMILES for 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine is COCC1(CN(C)c2cc(-c3cc(C4CC4)nc(C(F)(F)F)c3)nc3nc(N)[nH]c23)CCCCC1.
What is the InChIKey of 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine?
The InChIKey is YGDBIDAWFBQARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N6O/c1-34(13-24(14-35-2)8-4-3-5-9-24)19-12-18(31-22-21(19)32-23(29)33-22)16-10-17(15-6-7-15)30-20(11-16)25(26,27)28/h10-12,15H,3-9,13-14H2,1-2H3,(H3,29,31,32,33).
What are the key properties of 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine?
5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine has a molecular weight of 488.56 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]-7-N-[[1-(methoxymethyl)cyclohexyl]methyl]-7-N-methyl-1H-imidazo[4,5-b]pyridine-2,7-diamine is sourced from PubChem (CID 164900616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).