[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid

C21H28F3N5O4 — CID 155828857

IUPAC[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCCn1nc(C)cc1C(=O)N1Cc2ncn(C)c2C(COCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N5O2.C2HF3O2/c1-4-24-17(7-13(2)21-24)19(25)23-8-15(11-26-10-14-5-6-14)18-16(9-23)20-12-22(18)3;3-2(4,5)1(6)7/h7,12,14-15H,4-6,8-11H2,1-3H3;(H,6,7)
InChIKeyBPNLRVGTRBMECS-UHFFFAOYSA-N
MW471.48 g/mol
LogP2.74
Rot. Bonds6

About [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid

[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155828857) has the molecular formula C21H28F3N5O4 and a molecular weight of 471.48 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155828857
Molecular FormulaC21H28F3N5O4
Molecular Weight471.48 g/mol
Exact Mass471.21
IUPAC Name[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCCn1nc(C)cc1C(=O)N1Cc2ncn(C)c2C(COCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N5O2.C2HF3O2/c1-4-24-17(7-13(2)21-24)19(25)23-8-15(11-26-10-14-5-6-14)18-16(9-23)20-12-22(18)3;3-2(4,5)1(6)7/h7,12,14-15H,4-6,8-11H2,1-3H3;(H,6,7)
InChIKeyBPNLRVGTRBMECS-UHFFFAOYSA-N
XLogP2.74
TPSA102.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742657
[7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118745119
[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118745145
N,1,5-trimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
CID 128966475
N,1,5-trimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
CID 129334106
N,1,5-trimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
CID 129334107
5-[(2,5-dimethylpyrazol-3-yl)methyl]-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155836159
[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155859425
[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155860857
(2-ethyl-5-methylpyrazol-3-yl)-[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155863223
[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155863934
ethyl 1-ethyl-5-[2-(1-methylpyrazol-3-yl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid
CID 155865884

Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid (CID 155828857) is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid is CCn1nc(C)cc1C(=O)N1Cc2ncn(C)c2C(COCC2CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is BPNLRVGTRBMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.C2HF3O2/c1-4-24-17(7-13(2)21-24)19(25)23-8-15(11-26-10-14-5-6-14)18-16(9-23)20-12-22(18)3;3-2(4,5)1(6)7/h7,12,14-15H,4-6,8-11H2,1-3H3;(H,6,7).
What are the key properties of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 471.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155828857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).