N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C30H34N8O2 — CID 126605542

IUPACN-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC/N=C(\c1cnc2[nH]cc(C(=O)N[C@@H](C(=O)N3CCC(C#N)CC3)C3CC3)c2n1)c1ccc(C2CC2)cc1NC
InChIInChI=1S/C30H34N8O2/c1-32-23-13-20(18-3-4-18)7-8-21(23)26(33-2)24-16-35-28-27(36-24)22(15-34-28)29(39)37-25(19-5-6-19)30(40)38-11-9-17(14-31)10-12-38/h7-8,13,15-19,25,32H,3-6,9-12H2,1-2H3,(H,34,35)(H,37,39)/b33-26-/t25-/m1/s1
InChIKeyLAOLETQCHBKJQT-OOCQWHAFSA-N
MW538.66 g/mol
LogP3.61
Rot. Bonds8

About N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 126605542) has the molecular formula C30H34N8O2 and a molecular weight of 538.66 g/mol. Its IUPAC name is N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID126605542
Molecular FormulaC30H34N8O2
Molecular Weight538.66 g/mol
Exact Mass538.28
IUPAC NameN-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC/N=C(\c1cnc2[nH]cc(C(=O)N[C@@H](C(=O)N3CCC(C#N)CC3)C3CC3)c2n1)c1ccc(C2CC2)cc1NC
InChIInChI=1S/C30H34N8O2/c1-32-23-13-20(18-3-4-18)7-8-21(23)26(33-2)24-16-35-28-27(36-24)22(15-34-28)29(39)37-25(19-5-6-19)30(40)38-11-9-17(14-31)10-12-38/h7-8,13,15-19,25,32H,3-6,9-12H2,1-2H3,(H,34,35)(H,37,39)/b33-26-/t25-/m1/s1
InChIKeyLAOLETQCHBKJQT-OOCQWHAFSA-N
XLogP3.61
TPSA139.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.66
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 126605542) is N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C/N=C(\c1cnc2[nH]cc(C(=O)N[C@@H](C(=O)N3CCC(C#N)CC3)C3CC3)c2n1)c1ccc(C2CC2)cc1NC.
What is the InChIKey of N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LAOLETQCHBKJQT-OOCQWHAFSA-N. The full InChI is InChI=1S/C30H34N8O2/c1-32-23-13-20(18-3-4-18)7-8-21(23)26(33-2)24-16-35-28-27(36-24)22(15-34-28)29(39)37-25(19-5-6-19)30(40)38-11-9-17(14-31)10-12-38/h7-8,13,15-19,25,32H,3-6,9-12H2,1-2H3,(H,34,35)(H,37,39)/b33-26-/t25-/m1/s1.
What are the key properties of N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 538.66 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-[C-[4-cyclopropyl-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 126605542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).