3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid

C19H19N5O3 — CID 91762486

IUPAC3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
SMILESCCn1ccc(C(=O)N2CCc3nc(-c4cccc(C(=O)O)c4)[nH]c3C2)n1
InChIInChI=1S/C19H19N5O3/c1-2-24-9-7-15(22-24)18(25)23-8-6-14-16(11-23)21-17(20-14)12-4-3-5-13(10-12)19(26)27/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,21)(H,26,27)
InChIKeyPEIVAKCADXWMJT-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.19
Rot. Bonds4

About 3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid

3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid (PubChem CID 91762486) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
PubChem CID91762486
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
SMILESCCn1ccc(C(=O)N2CCc3nc(-c4cccc(C(=O)O)c4)[nH]c3C2)n1
InChIInChI=1S/C19H19N5O3/c1-2-24-9-7-15(22-24)18(25)23-8-6-14-16(11-23)21-17(20-14)12-4-3-5-13(10-12)19(26)27/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,21)(H,26,27)
InChIKeyPEIVAKCADXWMJT-UHFFFAOYSA-N
XLogP2.19
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
The IUPAC name of 3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid (CID 91762486) is 3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid.
What is the SMILES notation for 3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
The canonical SMILES for 3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid is CCn1ccc(C(=O)N2CCc3nc(-c4cccc(C(=O)O)c4)[nH]c3C2)n1.
What is the InChIKey of 3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
The InChIKey is PEIVAKCADXWMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-2-24-9-7-15(22-24)18(25)23-8-6-14-16(11-23)21-17(20-14)12-4-3-5-13(10-12)19(26)27/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,21)(H,26,27).
What are the key properties of 3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid has a molecular weight of 365.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 91762486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).