1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one

C29H29N9O2 — CID 158011912

IUPAC1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one
SMILESCc1cnc2ccc(-c3nc(C(=O)CCc4cccc(N5C[C@@H]6C[C@H]5CN6C)n4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C29H29N9O2/c1-17-13-32-23-9-6-18(14-37(17)23)25-27(29-31-10-11-40-29)35-28(30)26(34-25)22(39)8-7-19-4-3-5-24(33-19)38-16-20-12-21(38)15-36(20)2/h3-6,9-11,13-14,20-21H,7-8,12,15-16H2,1-2H3,(H2,30,35)/t20-,21-/m0/s1
InChIKeyFEZNOBYZIWKVDD-SFTDATJTSA-N
MW535.61 g/mol
LogP3.44
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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one (PubChem CID 158011912) has the molecular formula C29H29N9O2 and a molecular weight of 535.61 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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one
PubChem CID158011912
Molecular FormulaC29H29N9O2
Molecular Weight535.61 g/mol
Exact Mass535.24
IUPAC Name1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one
SMILESCc1cnc2ccc(-c3nc(C(=O)CCc4cccc(N5C[C@@H]6C[C@H]5CN6C)n4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C29H29N9O2/c1-17-13-32-23-9-6-18(14-37(17)23)25-27(29-31-10-11-40-29)35-28(30)26(34-25)22(39)8-7-19-4-3-5-24(33-19)38-16-20-12-21(38)15-36(20)2/h3-6,9-11,13-14,20-21H,7-8,12,15-16H2,1-2H3,(H2,30,35)/t20-,21-/m0/s1
InChIKeyFEZNOBYZIWKVDD-SFTDATJTSA-N
XLogP3.44
TPSA131.57 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 53.44
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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one with MolForge

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Related Compounds

2-((3-Fluoropyridin-2-yl)methyl)-8-(3-methylimi dazo[l,2-a]pyridin-6-yl)-7-(oxazol-2-yl)-[l,2,4] triazolo[l,5-c]pyrimidin-5-amine
CID 146490628
3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(3-methyl-3H-benzo[d] imidazol-5-yl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 146386425
3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(imidazo[1,2-a]pyridin-6-yl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 146386431
6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-amino-N-(2,6-difluorobenzyl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 146386432
3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 146386512
2-((3-Fluoropyridin-2-yl)methyl)-8-(imidazo[l,2-a]pyrdin-6-yl)-7-(oxazol-2-yl)-[1,2,4]triazolo[1, 5-c]pyrimidin-5-amine
CID 146490649
6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-amino-N-((3-fluoropyridin-2-yl) methyl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 155209335
8-(3-Methyiimidazo[l,2-a]pyridin-6-yl)-7-(oxazo l-2-yl)-2-((tetrahydrofuran-2-yl)methyl)-[l,2,4] triazolo[l,5-c]pyrimidin-5-amine (isomer 1)
CID 156022972
8-(3-Methylimidazo[l,2-a]pyridin-6-yl)-7-(oxazo l-2-yl)-2-((tetrahydrofuran-2-yl)methyl)-[l,2,4] triazolo[l,5-c]pyrimidin-5-amine (isomer 2)
CID 156022973
8-(3-Methylimidazo[l,2-a]pyridin-6-yl)-7-(oxazo l-2-yl)-2-((tetrahydrofuran-3-yl)methyl)-[l,2,4] triazolo[l,5-c]pyrimidin-5-amine (isomer 1)
CID 156022974
8-(3-Methylimidazo[l,2-a]pyridin-6-yl)-7-(oxazo l-2-yl)-2-((tetrahydrofiiran-3-yl)methyl)-[l,2,4] triazolo[l,5-c]pyrimidin-5-amine (isomer 2)
CID 156022975
[6-(2-Amino-[1,3]oxazolo[5,4-b]pyridin-6-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 70798864

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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one (CID 158011912) is 1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one is Cc1cnc2ccc(-c3nc(C(=O)CCc4cccc(N5C[C@@H]6C[C@H]5CN6C)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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one?
The InChIKey is FEZNOBYZIWKVDD-SFTDATJTSA-N. The full InChI is InChI=1S/C29H29N9O2/c1-17-13-32-23-9-6-18(14-37(17)23)25-27(29-31-10-11-40-29)35-28(30)26(34-25)22(39)8-7-19-4-3-5-24(33-19)38-16-20-12-21(38)15-36(20)2/h3-6,9-11,13-14,20-21H,7-8,12,15-16H2,1-2H3,(H2,30,35)/t20-,21-/m0/s1.
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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one has a molecular weight of 535.61 g/mol, XLogP of 3.44, 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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 158011912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).