N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C22H22N6O3 — CID 176501303

IUPACN-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)c1cnc2c(c1)ncn2C1CCOCC1
InChIInChI=1S/C22H22N6O3/c1-27(13-18-11-19(26-31-18)15-2-6-23-7-3-15)22(29)16-10-20-21(24-12-16)28(14-25-20)17-4-8-30-9-5-17/h2-3,6-7,10-12,14,17H,4-5,8-9,13H2,1H3
InChIKeyNHMHMOKEYBGTLW-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.11
Rot. Bonds5

About N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176501303) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176501303
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC NameN-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)c1cnc2c(c1)ncn2C1CCOCC1
InChIInChI=1S/C22H22N6O3/c1-27(13-18-11-19(26-31-18)15-2-6-23-7-3-15)22(29)16-10-20-21(24-12-16)28(14-25-20)17-4-8-30-9-5-17/h2-3,6-7,10-12,14,17H,4-5,8-9,13H2,1H3
InChIKeyNHMHMOKEYBGTLW-UHFFFAOYSA-N
XLogP3.11
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 176501303) is N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is CN(Cc1cc(-c2ccncc2)no1)C(=O)c1cnc2c(c1)ncn2C1CCOCC1.
What is the InChIKey of N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is NHMHMOKEYBGTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-27(13-18-11-19(26-31-18)15-2-6-23-7-3-15)22(29)16-10-20-21(24-12-16)28(14-25-20)17-4-8-30-9-5-17/h2-3,6-7,10-12,14,17H,4-5,8-9,13H2,1H3.
What are the key properties of N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176501303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).