(4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid

C26H29ClF3N5O3 — CID 171694441

IUPAC(4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1cc(C(=O)N2CCC(c3cc4c(ncn4C)c(NCC4CC4)n3)CC2)ccc1Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28ClN5O.C2HF3O2/c1-15-11-18(5-6-19(15)25)24(31)30-9-7-17(8-10-30)20-12-21-22(27-14-29(21)2)23(28-20)26-13-16-3-4-16;3-2(4,5)1(6)7/h5-6,11-12,14,16-17H,3-4,7-10,13H2,1-2H3,(H,26,28);(H,6,7)
InChIKeyZLEKJBSWOBAGEO-UHFFFAOYSA-N
MW552.00 g/mol
LogP5.41
Rot. Bonds5

About (4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid

(4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 171694441) has the molecular formula C26H29ClF3N5O3 and a molecular weight of 552.00 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID171694441
Molecular FormulaC26H29ClF3N5O3
Molecular Weight552.00 g/mol
Exact Mass551.19
IUPAC Name(4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1cc(C(=O)N2CCC(c3cc4c(ncn4C)c(NCC4CC4)n3)CC2)ccc1Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28ClN5O.C2HF3O2/c1-15-11-18(5-6-19(15)25)24(31)30-9-7-17(8-10-30)20-12-21-22(27-14-29(21)2)23(28-20)26-13-16-3-4-16;3-2(4,5)1(6)7/h5-6,11-12,14,16-17H,3-4,7-10,13H2,1-2H3,(H,26,28);(H,6,7)
InChIKeyZLEKJBSWOBAGEO-UHFFFAOYSA-N
XLogP5.41
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.00
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155837911
[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155825579
[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155869233
furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155850386
furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155841127
4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155851768
[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155850430
N-benzyl-1-methyl-6-piperidin-4-ylimidazo[4,5-c]pyridin-4-amine;hydrochloride
CID 134069650
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid (CID 171694441) is (4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid is Cc1cc(C(=O)N2CCC(c3cc4c(ncn4C)c(NCC4CC4)n3)CC2)ccc1Cl.O=C(O)C(F)(F)F.
What is the InChIKey of (4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is ZLEKJBSWOBAGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O.C2HF3O2/c1-15-11-18(5-6-19(15)25)24(31)30-9-7-17(8-10-30)20-12-21-22(27-14-29(21)2)23(28-20)26-13-16-3-4-16;3-2(4,5)1(6)7/h5-6,11-12,14,16-17H,3-4,7-10,13H2,1-2H3,(H,26,28);(H,6,7).
What are the key properties of (4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
(4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 552.00 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171694441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).