3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine

C54H52F6N12O4 — CID 157272389

IUPAC3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1cc([C@@H](C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1.COc1cc([C@H](C)n2c(N)nc3cc(C4=CN(C)NC4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H27F3N6O2.C27H25F3N6O2/c2*1-16(36-25-22(34-26(36)31)10-19(12-32-25)20-13-33-35(2)14-20)18-6-9-23(24(11-18)37-3)38-15-17-4-7-21(8-5-17)27(28,29)30/h4-12,14,16,33H,13,15H2,1-3H3,(H2,31,34);4-14,16H,15H2,1-3H3,(H2,31,34)/t2*16-/m01/s1
InChIKeyAYRPVBBKUKFGKD-ZTUUCVRXSA-N
MW1047.08 g/mol
LogP10.65
Rot. Bonds14

About 3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine

3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 157272389) has the molecular formula C54H52F6N12O4 and a molecular weight of 1047.08 g/mol. Its IUPAC name is 3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID157272389
Molecular FormulaC54H52F6N12O4
Molecular Weight1047.08 g/mol
Exact Mass1046.41
IUPAC Name3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1cc([C@@H](C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1.COc1cc([C@H](C)n2c(N)nc3cc(C4=CN(C)NC4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H27F3N6O2.C27H25F3N6O2/c2*1-16(36-25-22(34-26(36)31)10-19(12-32-25)20-13-33-35(2)14-20)18-6-9-23(24(11-18)37-3)38-15-17-4-7-21(8-5-17)27(28,29)30/h4-12,14,16,33H,13,15H2,1-3H3,(H2,31,34);4-14,16H,15H2,1-3H3,(H2,31,34)/t2*16-/m01/s1
InChIKeyAYRPVBBKUKFGKD-ZTUUCVRXSA-N
XLogP10.65
TPSA183.47 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001047.08
LogP ≤ 510.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 118009843
3-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-2-amine
CID 156579641
tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate
CID 167435753
3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine
CID 118009817
(1R)-1-[3-methoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999803
5-[[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-N-(2-piperazin-1-ylethyl)pyrimidine-2,4-diamine
CID 44532785
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine
CID 177372638
1-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881865
3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 46870016

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine (CID 157272389) is 3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine is COc1cc([C@@H](C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1.COc1cc([C@H](C)n2c(N)nc3cc(C4=CN(C)NC4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is AYRPVBBKUKFGKD-ZTUUCVRXSA-N. The full InChI is InChI=1S/C27H27F3N6O2.C27H25F3N6O2/c2*1-16(36-25-22(34-26(36)31)10-19(12-32-25)20-13-33-35(2)14-20)18-6-9-23(24(11-18)37-3)38-15-17-4-7-21(8-5-17)27(28,29)30/h4-12,14,16,33H,13,15H2,1-3H3,(H2,31,34);4-14,16H,15H2,1-3H3,(H2,31,34)/t2*16-/m01/s1.
What are the key properties of 3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 1047.08 g/mol, XLogP of 10.65, 14 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 157272389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).