2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)

C35H34F9N7O6 — CID 44528317

IUPAC2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)
SMILESCc1cc(-c2nc3cncc(-c4cccc(CN5CCCC5Cc5cccnc5)c4)c3n2C)nn1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C29H31N7.3C2HF3O2/c1-20-13-26(33-35(20)3)29-32-27-18-31-17-25(28(27)34(29)2)23-9-4-7-22(14-23)19-36-12-6-10-24(36)15-21-8-5-11-30-16-21;3*3-2(4,5)1(6)7/h4-5,7-9,11,13-14,16-18,24H,6,10,12,15,19H2,1-3H3;3*(H,6,7)
InChIKeyIQGKICHXDOVCDY-UHFFFAOYSA-N
MW819.68 g/mol
LogP6.85
Rot. Bonds6

About 2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)

2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 44528317) has the molecular formula C35H34F9N7O6 and a molecular weight of 819.68 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)
PubChem CID44528317
Molecular FormulaC35H34F9N7O6
Molecular Weight819.68 g/mol
Exact Mass819.24
IUPAC Name2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)
SMILESCc1cc(-c2nc3cncc(-c4cccc(CN5CCCC5Cc5cccnc5)c4)c3n2C)nn1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C29H31N7.3C2HF3O2/c1-20-13-26(33-35(20)3)29-32-27-18-31-17-25(28(27)34(29)2)23-9-4-7-22(14-23)19-36-12-6-10-24(36)15-21-8-5-11-30-16-21;3*3-2(4,5)1(6)7/h4-5,7-9,11,13-14,16-18,24H,6,10,12,15,19H2,1-3H3;3*(H,6,7)
InChIKeyIQGKICHXDOVCDY-UHFFFAOYSA-N
XLogP6.85
TPSA176.56 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.68
LogP ≤ 56.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

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CID 145987724
CID 145987724
CID 165414857
CID 165414857
CID 44529852
CID 44529852
CID 44555845
CID 44555845
CID 49797243
CID 49797243
CID 49797594
CID 49797594
CID 49797602
CID 49797602
CID 49797635
CID 49797635

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) (CID 44528317) is 2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) is Cc1cc(-c2nc3cncc(-c4cccc(CN5CCCC5Cc5cccnc5)c4)c3n2C)nn1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is IQGKICHXDOVCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7.3C2HF3O2/c1-20-13-26(33-35(20)3)29-32-27-18-31-17-25(28(27)34(29)2)23-9-4-7-22(14-23)19-36-12-6-10-24(36)15-21-8-5-11-30-16-21;3*3-2(4,5)1(6)7/h4-5,7-9,11,13-14,16-18,24H,6,10,12,15,19H2,1-3H3;3*(H,6,7).
What are the key properties of 2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)?
2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 819.68 g/mol, XLogP of 6.85, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 44528317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).