N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide

C28H28N6O3 — CID 170582157

IUPACN-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide
SMILESC[C@@H]1CN(c2cccc(-c3cnc4cnc(CN(C)C(=O)c5ccccc5C=O)cc4n3)n2)C[C@H](C)O1
InChIInChI=1S/C28H28N6O3/c1-18-14-34(15-19(2)37-18)27-10-6-9-23(32-27)26-13-30-25-12-29-21(11-24(25)31-26)16-33(3)28(36)22-8-5-4-7-20(22)17-35/h4-13,17-19H,14-16H2,1-3H3/t18-,19+
InChIKeyWMWHVIKEJZLQBJ-KDURUIRLSA-N
MW496.57 g/mol
LogP3.79
Rot. Bonds6

About N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide

N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide (PubChem CID 170582157) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide
PubChem CID170582157
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC NameN-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide
SMILESC[C@@H]1CN(c2cccc(-c3cnc4cnc(CN(C)C(=O)c5ccccc5C=O)cc4n3)n2)C[C@H](C)O1
InChIInChI=1S/C28H28N6O3/c1-18-14-34(15-19(2)37-18)27-10-6-9-23(32-27)26-13-30-25-12-29-21(11-24(25)31-26)16-33(3)28(36)22-8-5-4-7-20(22)17-35/h4-13,17-19H,14-16H2,1-3H3/t18-,19+
InChIKeyWMWHVIKEJZLQBJ-KDURUIRLSA-N
XLogP3.79
TPSA101.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide 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-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide?
The IUPAC name of N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide (CID 170582157) is N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide.
What is the SMILES notation for N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide?
The canonical SMILES for N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide is C[C@@H]1CN(c2cccc(-c3cnc4cnc(CN(C)C(=O)c5ccccc5C=O)cc4n3)n2)C[C@H](C)O1.
What is the InChIKey of N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide?
The InChIKey is WMWHVIKEJZLQBJ-KDURUIRLSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-18-14-34(15-19(2)37-18)27-10-6-9-23(32-27)26-13-30-25-12-29-21(11-24(25)31-26)16-33(3)28(36)22-8-5-4-7-20(22)17-35/h4-13,17-19H,14-16H2,1-3H3/t18-,19+.
What are the key properties of N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide?
N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide has a molecular weight of 496.57 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide is sourced from PubChem (CID 170582157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).