(7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

C17H22N4O3 — CID 97390165

IUPAC(7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCC(C)Cn1cnc2c1[C@H](C(=O)O)CN(C(=O)c1cccn1C)C2
InChIInChI=1S/C17H22N4O3/c1-11(2)7-21-10-18-13-9-20(8-12(15(13)21)17(23)24)16(22)14-5-4-6-19(14)3/h4-6,10-12H,7-9H2,1-3H3,(H,23,24)/t12-/m1/s1
InChIKeyWEJBLONRRNCYCU-GFCCVEGCSA-N
MW330.39 g/mol
LogP1.70
Rot. Bonds4

About (7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

(7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 97390165) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name(7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID97390165
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCC(C)Cn1cnc2c1[C@H](C(=O)O)CN(C(=O)c1cccn1C)C2
InChIInChI=1S/C17H22N4O3/c1-11(2)7-21-10-18-13-9-20(8-12(15(13)21)17(23)24)16(22)14-5-4-6-19(14)3/h4-6,10-12H,7-9H2,1-3H3,(H,23,24)/t12-/m1/s1
InChIKeyWEJBLONRRNCYCU-GFCCVEGCSA-N
XLogP1.70
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 97390164
(7S)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 97390160
1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 134078751
5-(cyclopentylcarbamoyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 134070090
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 155900749
[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
CID 97368704
[1-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155838889
[(3aR,6aS)-5-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 110134847
(1-methylpyrrol-2-yl)-[(6S)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 97462807
N-[[(5R)-7-(1-methylpyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124818038
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 120744886
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 65416595

Frequently Asked Questions

What is the IUPAC name of (7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of (7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (CID 97390165) is (7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for (7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for (7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is CC(C)Cn1cnc2c1[C@H](C(=O)O)CN(C(=O)c1cccn1C)C2.
What is the InChIKey of (7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is WEJBLONRRNCYCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(2)7-21-10-18-13-9-20(8-12(15(13)21)17(23)24)16(22)14-5-4-6-19(14)3/h4-6,10-12H,7-9H2,1-3H3,(H,23,24)/t12-/m1/s1.
What are the key properties of (7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
(7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 97390165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).