(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid

C21H31F3N4O3 — CID 155827074

IUPAC(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCC1CCN(C(=O)C2CN(C3CCCC3)Cc3ncn(C)c32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H30N4O.C2HF3O2/c1-14-7-9-22(10-8-14)19(24)16-11-23(15-5-3-4-6-15)12-17-18(16)21(2)13-20-17;3-2(4,5)1(6)7/h13-16H,3-12H2,1-2H3;(H,6,7)
InChIKeyFGKMUROKUYKEDW-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.15
Rot. Bonds2

About (5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid

(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155827074) has the molecular formula C21H31F3N4O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is (5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155827074
Molecular FormulaC21H31F3N4O3
Molecular Weight444.50 g/mol
Exact Mass444.23
IUPAC Name(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCC1CCN(C(=O)C2CN(C3CCCC3)Cc3ncn(C)c32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H30N4O.C2HF3O2/c1-14-7-9-22(10-8-14)19(24)16-11-23(15-5-3-4-6-15)12-17-18(16)21(2)13-20-17;3-2(4,5)1(6)7/h13-16H,3-12H2,1-2H3;(H,6,7)
InChIKeyFGKMUROKUYKEDW-UHFFFAOYSA-N
XLogP3.15
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742694
[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742953
[5-(cyclopropylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742955
1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742966
[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742972
2,2,2-trifluoro-1-[4-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 110872664
(3,3-difluoroazetidin-1-yl)-[(7R)-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 124239910
(3,3-difluoroazetidin-1-yl)-[(7S)-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 124239911
(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 131649061
[5-(Cyclopentylmethyl)-3,5,9,12-tetrazatricyclo[7.4.0.02,6]trideca-2(6),3-dien-12-yl]-(1-fluorocyclopropyl)methanone
CID 131688153
(3,3-difluorocyclobutyl)-[1-methyl-4-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 131696152
4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 137844253

Frequently Asked Questions

What is the IUPAC name of (5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid (CID 155827074) is (5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid is CC1CCN(C(=O)C2CN(C3CCCC3)Cc3ncn(C)c32)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of (5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is FGKMUROKUYKEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.C2HF3O2/c1-14-7-9-22(10-8-14)19(24)16-11-23(15-5-3-4-6-15)12-17-18(16)21(2)13-20-17;3-2(4,5)1(6)7/h13-16H,3-12H2,1-2H3;(H,6,7).
What are the key properties of (5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 444.50 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155827074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).