methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate

C19H22N6O3 — CID 175533860

IUPACmethyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc3c2ncn3C)c(C)nc1NC1CNCCO1
InChIInChI=1S/C19H22N6O3/c1-11-15(12-5-4-6-13-16(12)21-10-25(13)2)24-17(19(26)27-3)18(22-11)23-14-9-20-7-8-28-14/h4-6,10,14,20H,7-9H2,1-3H3,(H,22,23)
InChIKeyFUENDGWLCOGEGP-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.48
Rot. Bonds4

About methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate

methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate (PubChem CID 175533860) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate
PubChem CID175533860
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Namemethyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc3c2ncn3C)c(C)nc1NC1CNCCO1
InChIInChI=1S/C19H22N6O3/c1-11-15(12-5-4-6-13-16(12)21-10-25(13)2)24-17(19(26)27-3)18(22-11)23-14-9-20-7-8-28-14/h4-6,10,14,20H,7-9H2,1-3H3,(H,22,23)
InChIKeyFUENDGWLCOGEGP-UHFFFAOYSA-N
XLogP1.48
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 3-(4-acetamidoanilino)-5-(methylamino)-6-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxylate
CID 171063492
methyl 5-cyclopropyl-6-(1-methylbenzimidazol-4-yl)-3-[[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate
CID 171063476
methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate
CID 70813427
methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate
CID 166485071
methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate
CID 166484906
methyl 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxylate
CID 171063509
methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-6-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]amino]pyrazine-2-carboxylate
CID 166484925
methyl 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117252886
methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate
CID 129036154
methyl 3-[4-[bis(2-methoxyethyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylate
CID 166484830
methyl 6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253635
methyl 6-(piperidin-3-ylamino)pyridine-2-carboxylate
CID 83841956

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate (CID 175533860) is methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate is COC(=O)c1nc(-c2cccc3c2ncn3C)c(C)nc1NC1CNCCO1.
What is the InChIKey of methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate?
The InChIKey is FUENDGWLCOGEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-11-15(12-5-4-6-13-16(12)21-10-25(13)2)24-17(19(26)27-3)18(22-11)23-14-9-20-7-8-28-14/h4-6,10,14,20H,7-9H2,1-3H3,(H,22,23).
What are the key properties of methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate?
methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-6-(1-methylbenzimidazol-4-yl)-3-(morpholin-2-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 175533860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).