3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C20H21N7O3 — CID 155209268

IUPAC3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCOC[C@H](C)NC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ncco2)nc1N
InChIInChI=1S/C20H21N7O3/c1-11(10-29-3)24-19(28)17-18(21)26-16(20-22-6-7-30-20)15(25-17)13-4-5-14-23-8-12(2)27(14)9-13/h4-9,11H,10H2,1-3H3,(H2,21,26)(H,24,28)/t11-/m0/s1
InChIKeyIPLKTNLGNGVUGJ-NSHDSACASA-N
MW407.43 g/mol
LogP2.10
Rot. Bonds6

About 3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155209268) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID155209268
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCOC[C@H](C)NC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ncco2)nc1N
InChIInChI=1S/C20H21N7O3/c1-11(10-29-3)24-19(28)17-18(21)26-16(20-22-6-7-30-20)15(25-17)13-4-5-14-23-8-12(2)27(14)9-13/h4-9,11H,10H2,1-3H3,(H2,21,26)(H,24,28)/t11-/m0/s1
InChIKeyIPLKTNLGNGVUGJ-NSHDSACASA-N
XLogP2.10
TPSA133.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155209268) is 3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is COC[C@H](C)NC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ncco2)nc1N.
What is the InChIKey of 3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is IPLKTNLGNGVUGJ-NSHDSACASA-N. The full InChI is InChI=1S/C20H21N7O3/c1-11(10-29-3)24-19(28)17-18(21)26-16(20-22-6-7-30-20)15(25-17)13-4-5-14-23-8-12(2)27(14)9-13/h4-9,11H,10H2,1-3H3,(H2,21,26)(H,24,28)/t11-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).