3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate

C75H86N22O11 — CID 159230540

IUPAC3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CN.Cc1cnc2ccc(-c3nc(C(=O)CC[C@@H]4CCCN4)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)CC[C@@H]4CCCN4C(=O)OC(C)(C)C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C27H31N7O4.C22H23N7O2.C16H12N6O3.C10H20N2O2/c1-16-14-30-20-10-7-17(15-34(16)20)21-23(25-29-11-13-37-25)32-24(28)22(31-21)19(35)9-8-18-6-5-12-33(18)26(36)38-27(2,3)4;1-13-11-26-17-7-4-14(12-29(13)17)18-20(22-25-9-10-31-22)28-21(23)19(27-18)16(30)6-5-15-3-2-8-24-15;1-8-6-19-10-3-2-9(7-22(8)10)11-12(15-18-4-5-25-15)21-14(17)13(20-11)16(23)24;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h7,10-11,13-15,18H,5-6,8-9,12H2,1-4H3,(H2,28,32);4,7,9-12,15,24H,2-3,5-6,8H2,1H3,(H2,23,28);2-7H,1H3,(H2,17,21)(H,23,24);8H,4-7,11H2,1-3H3/t18-;15-;;8-/m00.0/s1
InChIKeyKSVNJMNKLVWEGG-ODZVTCRYSA-N
MW1471.66 g/mol
LogP11.13
Rot. Bonds16

About 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate (PubChem CID 159230540) has the molecular formula C75H86N22O11 and a molecular weight of 1471.66 g/mol. Its IUPAC name is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
PubChem CID159230540
Molecular FormulaC75H86N22O11
Molecular Weight1471.66 g/mol
Exact Mass1470.68
IUPAC Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CN.Cc1cnc2ccc(-c3nc(C(=O)CC[C@@H]4CCCN4)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)CC[C@@H]4CCCN4C(=O)OC(C)(C)C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C27H31N7O4.C22H23N7O2.C16H12N6O3.C10H20N2O2/c1-16-14-30-20-10-7-17(15-34(16)20)21-23(25-29-11-13-37-25)32-24(28)22(31-21)19(35)9-8-18-6-5-12-33(18)26(36)38-27(2,3)4;1-13-11-26-17-7-4-14(12-29(13)17)18-20(22-25-9-10-31-22)28-21(23)19(27-18)16(30)6-5-15-3-2-8-24-15;1-8-6-19-10-3-2-9(7-22(8)10)11-12(15-18-4-5-25-15)21-14(17)13(20-11)16(23)24;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h7,10-11,13-15,18H,5-6,8-9,12H2,1-4H3,(H2,28,32);4,7,9-12,15,24H,2-3,5-6,8H2,1H3,(H2,23,28);2-7H,1H3,(H2,17,21)(H,23,24);8H,4-7,11H2,1-3H3/t18-;15-;;8-/m00.0/s1
InChIKeyKSVNJMNKLVWEGG-ODZVTCRYSA-N
XLogP11.13
TPSA453.96 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001471.66
LogP ≤ 511.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate?
The IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate (CID 159230540) is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1CN.Cc1cnc2ccc(-c3nc(C(=O)CC[C@@H]4CCCN4)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)CC[C@@H]4CCCN4C(=O)OC(C)(C)C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate?
The InChIKey is KSVNJMNKLVWEGG-ODZVTCRYSA-N. The full InChI is InChI=1S/C27H31N7O4.C22H23N7O2.C16H12N6O3.C10H20N2O2/c1-16-14-30-20-10-7-17(15-34(16)20)21-23(25-29-11-13-37-25)32-24(28)22(31-21)19(35)9-8-18-6-5-12-33(18)26(36)38-27(2,3)4;1-13-11-26-17-7-4-14(12-29(13)17)18-20(22-25-9-10-31-22)28-21(23)19(27-18)16(30)6-5-15-3-2-8-24-15;1-8-6-19-10-3-2-9(7-22(8)10)11-12(15-18-4-5-25-15)21-14(17)13(20-11)16(23)24;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h7,10-11,13-15,18H,5-6,8-9,12H2,1-4H3,(H2,28,32);4,7,9-12,15,24H,2-3,5-6,8H2,1H3,(H2,23,28);2-7H,1H3,(H2,17,21)(H,23,24);8H,4-7,11H2,1-3H3/t18-;15-;;8-/m00.0/s1.
What are the key properties of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate?
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate has a molecular weight of 1471.66 g/mol, XLogP of 11.13, 16 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[(2S)-pyrrolidin-2-yl]propan-1-one;tert-butyl (2S)-2-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 159230540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).