5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide

C22H22N8O3 — CID 59176803

IUPAC5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2cnc(C(=O)NOC3CCCCO3)cn2)n1
InChIInChI=1S/C22H22N8O3/c1-14-20(30-10-4-2-6-18(30)26-14)15-8-9-23-22(27-15)28-17-13-24-16(12-25-17)21(31)29-33-19-7-3-5-11-32-19/h2,4,6,8-10,12-13,19H,3,5,7,11H2,1H3,(H,29,31)(H,23,25,27,28)
InChIKeySHROBQZZMWNEEV-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.82
Rot. Bonds6

About 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide

5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide (PubChem CID 59176803) has the molecular formula C22H22N8O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide
PubChem CID59176803
Molecular FormulaC22H22N8O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Name5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2cnc(C(=O)NOC3CCCCO3)cn2)n1
InChIInChI=1S/C22H22N8O3/c1-14-20(30-10-4-2-6-18(30)26-14)15-8-9-23-22(27-15)28-17-13-24-16(12-25-17)21(31)29-33-19-7-3-5-11-32-19/h2,4,6,8-10,12-13,19H,3,5,7,11H2,1H3,(H,29,31)(H,23,25,27,28)
InChIKeySHROBQZZMWNEEV-UHFFFAOYSA-N
XLogP2.82
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide?
The IUPAC name of 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide (CID 59176803) is 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide?
The canonical SMILES for 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide is Cc1nc2ccccn2c1-c1ccnc(Nc2cnc(C(=O)NOC3CCCCO3)cn2)n1.
What is the InChIKey of 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide?
The InChIKey is SHROBQZZMWNEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3/c1-14-20(30-10-4-2-6-18(30)26-14)15-8-9-23-22(27-15)28-17-13-24-16(12-25-17)21(31)29-33-19-7-3-5-11-32-19/h2,4,6,8-10,12-13,19H,3,5,7,11H2,1H3,(H,29,31)(H,23,25,27,28).
What are the key properties of 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide?
5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-N-(oxan-2-yloxy)pyrazine-2-carboxamide is sourced from PubChem (CID 59176803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).