4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide

C25H22N6O2 — CID 122431690

IUPAC4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C25H22N6O2/c1-3-33-23-12-20(16-6-9-27-15(2)10-16)29-21-11-17(4-5-18(21)23)25(32)28-14-24-30-19-7-8-26-13-22(19)31-24/h4-13H,3,14H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyRKGJPFCAYXVHJZ-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.21
Rot. Bonds6

About 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide

4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide (PubChem CID 122431690) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide
PubChem CID122431690
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C25H22N6O2/c1-3-33-23-12-20(16-6-9-27-15(2)10-16)29-21-11-17(4-5-18(21)23)25(32)28-14-24-30-19-7-8-26-13-22(19)31-24/h4-13H,3,14H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyRKGJPFCAYXVHJZ-UHFFFAOYSA-N
XLogP4.21
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide (CID 122431690) is 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide is CCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide?
The InChIKey is RKGJPFCAYXVHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-3-33-23-12-20(16-6-9-27-15(2)10-16)29-21-11-17(4-5-18(21)23)25(32)28-14-24-30-19-7-8-26-13-22(19)31-24/h4-13H,3,14H2,1-2H3,(H,28,32)(H,30,31).
What are the key properties of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide?
4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide is sourced from PubChem (CID 122431690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).