6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide

C23H23N7O3 — CID 59176921

IUPAC6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)NOC3CCCCO3)cn2)n1
InChIInChI=1S/C23H23N7O3/c1-15-21(30-12-4-2-6-19(30)26-15)17-10-11-24-23(27-17)28-18-9-8-16(14-25-18)22(31)29-33-20-7-3-5-13-32-20/h2,4,6,8-12,14,20H,3,5,7,13H2,1H3,(H,29,31)(H,24,25,27,28)
InChIKeyHOPJECLLJODXAG-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.43
Rot. Bonds6

About 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide

6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide (PubChem CID 59176921) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide
PubChem CID59176921
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)NOC3CCCCO3)cn2)n1
InChIInChI=1S/C23H23N7O3/c1-15-21(30-12-4-2-6-19(30)26-15)17-10-11-24-23(27-17)28-18-9-8-16(14-25-18)22(31)29-33-20-7-3-5-13-32-20/h2,4,6,8-12,14,20H,3,5,7,13H2,1H3,(H,29,31)(H,24,25,27,28)
InChIKeyHOPJECLLJODXAG-UHFFFAOYSA-N
XLogP3.43
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide?
The IUPAC name of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide (CID 59176921) is 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide is Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)NOC3CCCCO3)cn2)n1.
What is the InChIKey of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide?
The InChIKey is HOPJECLLJODXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-15-21(30-12-4-2-6-19(30)26-15)17-10-11-24-23(27-17)28-18-9-8-16(14-25-18)22(31)29-33-20-7-3-5-13-32-20/h2,4,6,8-12,14,20H,3,5,7,13H2,1H3,(H,29,31)(H,24,25,27,28).
What are the key properties of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide?
6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 59176921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).