7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)

C27H31F9N4O7 — CID 155863193

IUPAC7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2Cc3ncn(CC4CC4)c3C(COCC3CC3)C2)nc1
InChIInChI=1S/C21H28N4O.3C2HF3O2/c1-2-8-22-19(3-1)11-24-10-18(14-26-13-17-6-7-17)21-20(12-24)23-15-25(21)9-16-4-5-16;3*3-2(4,5)1(6)7/h1-3,8,15-18H,4-7,9-14H2;3*(H,6,7)
InChIKeySJGKHFBJIQLQLO-UHFFFAOYSA-N
MW694.55 g/mol
LogP5.11
Rot. Bonds8

About 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)

7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155863193) has the molecular formula C27H31F9N4O7 and a molecular weight of 694.55 g/mol. Its IUPAC name is 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)
PubChem CID155863193
Molecular FormulaC27H31F9N4O7
Molecular Weight694.55 g/mol
Exact Mass694.20
IUPAC Name7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2Cc3ncn(CC4CC4)c3C(COCC3CC3)C2)nc1
InChIInChI=1S/C21H28N4O.3C2HF3O2/c1-2-8-22-19(3-1)11-24-10-18(14-26-13-17-6-7-17)21-20(12-24)23-15-25(21)9-16-4-5-16;3*3-2(4,5)1(6)7/h1-3,8,15-18H,4-7,9-14H2;3*(H,6,7)
InChIKeySJGKHFBJIQLQLO-UHFFFAOYSA-N
XLogP5.11
TPSA155.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.55
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

2-(cyclopropylmethyl)-4-(methoxymethyl)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 171694918
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171686145
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171688615
4-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 155832795
1-[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 97368598
5-benzyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155863122
4-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 155824345
N,N-dimethyl-2-[[1-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 131639700
3-(cyclopropylmethoxymethyl)-5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155829444
(7R)-1,5-bis(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382972
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118743206
(4S)-2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97383124

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) (CID 155863193) is 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2Cc3ncn(CC4CC4)c3C(COCC3CC3)C2)nc1.
What is the InChIKey of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is SJGKHFBJIQLQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.3C2HF3O2/c1-2-8-22-19(3-1)11-24-10-18(14-26-13-17-6-7-17)21-20(12-24)23-15-25(21)9-16-4-5-16;3*3-2(4,5)1(6)7/h1-3,8,15-18H,4-7,9-14H2;3*(H,6,7).
What are the key properties of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 694.55 g/mol, XLogP of 5.11, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155863193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).