N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide

C30H38N10O6 — CID 166972096

IUPACN-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(O)c1cnnn1[C@H]1C[C@@H](C(=O)NCC(=O)C(N)=O)N(C(=O)[C@@H](CC2CCCCC2)NC(=O)c2cnc3nccnc3c2)C1
InChIInChI=1S/C30H38N10O6/c1-30(2,46)24-15-36-38-40(24)19-12-22(28(44)35-14-23(41)25(31)42)39(16-19)29(45)21(10-17-6-4-3-5-7-17)37-27(43)18-11-20-26(34-13-18)33-9-8-32-20/h8-9,11,13,15,17,19,21-22,46H,3-7,10,12,14,16H2,1-2H3,(H2,31,42)(H,35,44)(H,37,43)/t19-,21+,22-/m0/s1
InChIKeyFOVWYFQBIKSNMN-NNWRFLSQSA-N
MW634.70 g/mol
LogP-0.07
Rot. Bonds11

About N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide

N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide (PubChem CID 166972096) has the molecular formula C30H38N10O6 and a molecular weight of 634.70 g/mol. Its IUPAC name is N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide
PubChem CID166972096
Molecular FormulaC30H38N10O6
Molecular Weight634.70 g/mol
Exact Mass634.30
IUPAC NameN-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(O)c1cnnn1[C@H]1C[C@@H](C(=O)NCC(=O)C(N)=O)N(C(=O)[C@@H](CC2CCCCC2)NC(=O)c2cnc3nccnc3c2)C1
InChIInChI=1S/C30H38N10O6/c1-30(2,46)24-15-36-38-40(24)19-12-22(28(44)35-14-23(41)25(31)42)39(16-19)29(45)21(10-17-6-4-3-5-7-17)37-27(43)18-11-20-26(34-13-18)33-9-8-32-20/h8-9,11,13,15,17,19,21-22,46H,3-7,10,12,14,16H2,1-2H3,(H2,31,42)(H,35,44)(H,37,43)/t19-,21+,22-/m0/s1
InChIKeyFOVWYFQBIKSNMN-NNWRFLSQSA-N
XLogP-0.07
TPSA228.28 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.70
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide (CID 166972096) is N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide is CC(C)(O)c1cnnn1[C@H]1C[C@@H](C(=O)NCC(=O)C(N)=O)N(C(=O)[C@@H](CC2CCCCC2)NC(=O)c2cnc3nccnc3c2)C1.
What is the InChIKey of N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide?
The InChIKey is FOVWYFQBIKSNMN-NNWRFLSQSA-N. The full InChI is InChI=1S/C30H38N10O6/c1-30(2,46)24-15-36-38-40(24)19-12-22(28(44)35-14-23(41)25(31)42)39(16-19)29(45)21(10-17-6-4-3-5-7-17)37-27(43)18-11-20-26(34-13-18)33-9-8-32-20/h8-9,11,13,15,17,19,21-22,46H,3-7,10,12,14,16H2,1-2H3,(H2,31,42)(H,35,44)(H,37,43)/t19-,21+,22-/m0/s1.
What are the key properties of N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide?
N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide has a molecular weight of 634.70 g/mol, XLogP of -0.07, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2S,4S)-2-[(3-amino-2,3-dioxopropyl)carbamoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]pyrido[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 166972096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).