4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

C12H12N4O2 — CID 164576961

IUPAC4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2[nH]cnc2c(C2=CCCNC2)n1
InChIInChI=1S/C12H12N4O2/c17-12(18)9-4-8-11(15-6-14-8)10(16-9)7-2-1-3-13-5-7/h2,4,6,13H,1,3,5H2,(H,14,15)(H,17,18)
InChIKeyBWXNLIOUURZWIF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.03
Rot. Bonds2

About 4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 164576961) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID164576961
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2[nH]cnc2c(C2=CCCNC2)n1
InChIInChI=1S/C12H12N4O2/c17-12(18)9-4-8-11(15-6-14-8)10(16-9)7-2-1-3-13-5-7/h2,4,6,13H,1,3,5H2,(H,14,15)(H,17,18)
InChIKeyBWXNLIOUURZWIF-UHFFFAOYSA-N
XLogP1.03
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76848051
4-pyrrolidin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 105490624
6-iodo-1H-benzimidazole-4-carboxylic acid
CID 131078743
1,2,3,6-tetrahydropyridine-5-carboxylic acid
CID 3532
6-(7-chloro-3H-benzimidazol-5-yl)pyrimidine-4-carboxylic acid
CID 71285522
2-(6-cyano-1H-benzimidazol-4-yl)acetic acid
CID 131605396
6-morpholin-4-yl-1H-benzimidazole-4-carboxylic acid
CID 118539723
6-morpholin-4-yl-1H-benzimidazole-4-carboxamide
CID 123491353
oxalic acid;bis(4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole)
CID 3068362
1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline
CID 3021935
6-amino-1H-benzimidazole-4-carboxamide
CID 121232289
cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid
CID 175268591

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 164576961) is 4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)c1cc2[nH]cnc2c(C2=CCCNC2)n1.
What is the InChIKey of 4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is BWXNLIOUURZWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-12(18)9-4-8-11(15-6-14-8)10(16-9)7-2-1-3-13-5-7/h2,4,6,13H,1,3,5H2,(H,14,15)(H,17,18).
What are the key properties of 4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 164576961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).