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N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide

C21H25N5O3 — CID 154655177

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide
SMILESCOc1nc(NC(=O)c2cccc(C(C)C)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H25N5O3/c1-13(2)15-5-4-6-16(22-15)20(27)24-18-12-26-11-17(14-7-9-29-10-8-14)23-19(26)21(25-18)28-3/h4-6,11-14H,7-10H2,1-3H3,(H,24,27)
InChIKeyYDPMKDOITGHYBP-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.40
Rot. Bonds5

About N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide

N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide (PubChem CID 154655177) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide
PubChem CID154655177
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide
SMILESCOc1nc(NC(=O)c2cccc(C(C)C)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H25N5O3/c1-13(2)15-5-4-6-16(22-15)20(27)24-18-12-26-11-17(14-7-9-29-10-8-14)23-19(26)21(25-18)28-3/h4-6,11-14H,7-10H2,1-3H3,(H,24,27)
InChIKeyYDPMKDOITGHYBP-UHFFFAOYSA-N
XLogP3.40
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide (CID 154655177) is N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide is COc1nc(NC(=O)c2cccc(C(C)C)n2)cn2cc(C3CCOCC3)nc12.
What is the InChIKey of N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide?
The InChIKey is YDPMKDOITGHYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-13(2)15-5-4-6-16(22-15)20(27)24-18-12-26-11-17(14-7-9-29-10-8-14)23-19(26)21(25-18)28-3/h4-6,11-14H,7-10H2,1-3H3,(H,24,27).
What are the key properties of N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide?
N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 154655177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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