2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide

C26H28N6O3 — CID 90463665

IUPAC2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C26H28N6O3/c1-17-21(19-12-22(31-8-10-35-11-9-31)24-28-6-7-32(24)16-19)14-20(15-29-17)30-25(33)18-4-5-27-23(13-18)26(2,3)34/h4-7,12-16,34H,8-11H2,1-3H3,(H,30,33)
InChIKeyFUYFCWCWWSYMIR-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.42
Rot. Bonds5

About 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide

2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90463665) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID90463665
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C26H28N6O3/c1-17-21(19-12-22(31-8-10-35-11-9-31)24-28-6-7-32(24)16-19)14-20(15-29-17)30-25(33)18-4-5-27-23(13-18)26(2,3)34/h4-7,12-16,34H,8-11H2,1-3H3,(H,30,33)
InChIKeyFUYFCWCWWSYMIR-UHFFFAOYSA-N
XLogP3.42
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 90463665) is 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is FUYFCWCWWSYMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-17-21(19-12-22(31-8-10-35-11-9-31)24-28-6-7-32(24)16-19)14-20(15-29-17)30-25(33)18-4-5-27-23(13-18)26(2,3)34/h4-7,12-16,34H,8-11H2,1-3H3,(H,30,33).
What are the key properties of 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90463665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).