1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one

C27H26N8O3 — CID 158709848

IUPAC1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one
SMILESCc1cnc2ccc(-c3nc(C(=O)CCc4cccc(N5CCOCC5)n4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C27H26N8O3/c1-17-15-30-21-8-5-18(16-35(17)21)23-25(27-29-9-12-38-27)33-26(28)24(32-23)20(36)7-6-19-3-2-4-22(31-19)34-10-13-37-14-11-34/h2-5,8-9,12,15-16H,6-7,10-11,13-14H2,1H3,(H2,28,33)
InChIKeyIIOSWROEYLPGFR-UHFFFAOYSA-N
MW510.56 g/mol
LogP3.38
Rot. Bonds7

About 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one

1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one (PubChem CID 158709848) has the molecular formula C27H26N8O3 and a molecular weight of 510.56 g/mol. Its IUPAC name is 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one
PubChem CID158709848
Molecular FormulaC27H26N8O3
Molecular Weight510.56 g/mol
Exact Mass510.21
IUPAC Name1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one
SMILESCc1cnc2ccc(-c3nc(C(=O)CCc4cccc(N5CCOCC5)n4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C27H26N8O3/c1-17-15-30-21-8-5-18(16-35(17)21)23-25(27-29-9-12-38-27)33-26(28)24(32-23)20(36)7-6-19-3-2-4-22(31-19)34-10-13-37-14-11-34/h2-5,8-9,12,15-16H,6-7,10-11,13-14H2,1H3,(H2,28,33)
InChIKeyIIOSWROEYLPGFR-UHFFFAOYSA-N
XLogP3.38
TPSA137.56 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one?
The IUPAC name of 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one (CID 158709848) is 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one is Cc1cnc2ccc(-c3nc(C(=O)CCc4cccc(N5CCOCC5)n4)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one?
The InChIKey is IIOSWROEYLPGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O3/c1-17-15-30-21-8-5-18(16-35(17)21)23-25(27-29-9-12-38-27)33-26(28)24(32-23)20(36)7-6-19-3-2-4-22(31-19)34-10-13-37-14-11-34/h2-5,8-9,12,15-16H,6-7,10-11,13-14H2,1H3,(H2,28,33).
What are the key properties of 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one?
1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one has a molecular weight of 510.56 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one is sourced from PubChem (CID 158709848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).