7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C20H24N6O3 — CID 70689446

IUPAC7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCNc1c(C(N)=O)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C20H24N6O3/c1-22-16-15(18(21)27)12-23-20-17(16)24-19(25-20)13-2-4-14(5-3-13)29-11-8-26-6-9-28-10-7-26/h2-5,12H,6-11H2,1H3,(H2,21,27)(H2,22,23,24,25)
InChIKeyOIBHGJXXSZPVAQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.48
Rot. Bonds7

About 7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70689446) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70689446
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCNc1c(C(N)=O)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C20H24N6O3/c1-22-16-15(18(21)27)12-23-20-17(16)24-19(25-20)13-2-4-14(5-3-13)29-11-8-26-6-9-28-10-7-26/h2-5,12H,6-11H2,1H3,(H2,21,27)(H2,22,23,24,25)
InChIKeyOIBHGJXXSZPVAQ-UHFFFAOYSA-N
XLogP1.48
TPSA118.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 70689446) is 7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is CNc1c(C(N)=O)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12.
What is the InChIKey of 7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is OIBHGJXXSZPVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-22-16-15(18(21)27)12-23-20-17(16)24-19(25-20)13-2-4-14(5-3-13)29-11-8-26-6-9-28-10-7-26/h2-5,12H,6-11H2,1H3,(H2,21,27)(H2,22,23,24,25).
What are the key properties of 7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70689446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).