(4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide

C20H20FN7O — CID 130436643

IUPAC(4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESC[C@@H]1CCN(C)c2ccc(-c3ccnc(F)c3)nc2N1C(=O)Nc1cnccn1
InChIInChI=1S/C20H20FN7O/c1-13-6-10-27(2)16-4-3-15(14-5-7-23-17(21)11-14)25-19(16)28(13)20(29)26-18-12-22-8-9-24-18/h3-5,7-9,11-13H,6,10H2,1-2H3,(H,24,26,29)/t13-/m1/s1
InChIKeyPNIHJQJNCNTQPU-CYBMUJFWSA-N
MW393.43 g/mol
LogP3.34
Rot. Bonds2

About (4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide

(4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide (PubChem CID 130436643) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is (4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name(4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide
PubChem CID130436643
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name(4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESC[C@@H]1CCN(C)c2ccc(-c3ccnc(F)c3)nc2N1C(=O)Nc1cnccn1
InChIInChI=1S/C20H20FN7O/c1-13-6-10-27(2)16-4-3-15(14-5-7-23-17(21)11-14)25-19(16)28(13)20(29)26-18-12-22-8-9-24-18/h3-5,7-9,11-13H,6,10H2,1-2H3,(H,24,26,29)/t13-/m1/s1
InChIKeyPNIHJQJNCNTQPU-CYBMUJFWSA-N
XLogP3.34
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-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 (4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide?
The IUPAC name of (4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide (CID 130436643) is (4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide.
What is the SMILES notation for (4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide?
The canonical SMILES for (4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide is C[C@@H]1CCN(C)c2ccc(-c3ccnc(F)c3)nc2N1C(=O)Nc1cnccn1.
What is the InChIKey of (4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide?
The InChIKey is PNIHJQJNCNTQPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-13-6-10-27(2)16-4-3-15(14-5-7-23-17(21)11-14)25-19(16)28(13)20(29)26-18-12-22-8-9-24-18/h3-5,7-9,11-13H,6,10H2,1-2H3,(H,24,26,29)/t13-/m1/s1.
What are the key properties of (4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide?
(4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-(2-fluoro-4-pyridinyl)-1,4-dimethyl-N-pyrazin-2-yl-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 130436643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).