N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

C20H22FN5O2 — CID 155914277

IUPACN-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESO=C(NC1C=CCCC1)c1cn2c(n1)CCN(C(=O)c1cncc(F)c1)CC2
InChIInChI=1S/C20H22FN5O2/c21-15-10-14(11-22-12-15)20(28)25-7-6-18-24-17(13-26(18)9-8-25)19(27)23-16-4-2-1-3-5-16/h2,4,10-13,16H,1,3,5-9H2,(H,23,27)
InChIKeyQVRWYPANJAOCTB-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.95
Rot. Bonds3

About N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 155914277) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID155914277
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC NameN-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESO=C(NC1C=CCCC1)c1cn2c(n1)CCN(C(=O)c1cncc(F)c1)CC2
InChIInChI=1S/C20H22FN5O2/c21-15-10-14(11-22-12-15)20(28)25-7-6-18-24-17(13-26(18)9-8-25)19(27)23-16-4-2-1-3-5-16/h2,4,10-13,16H,1,3,5-9H2,(H,23,27)
InChIKeyQVRWYPANJAOCTB-UHFFFAOYSA-N
XLogP1.95
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 126425648
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
2-[acetyl-[(4R)-1-(5-fluoropyridine-3-carbonyl)azepan-4-yl]amino]acetic acid
CID 129352721
(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103860842
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102978428
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91829899
(2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 137334700
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 104786148
[4-(4-aminobutyl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 104785306
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
CID 144819110

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 155914277) is N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is O=C(NC1C=CCCC1)c1cn2c(n1)CCN(C(=O)c1cncc(F)c1)CC2.
What is the InChIKey of N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is QVRWYPANJAOCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-15-10-14(11-22-12-15)20(28)25-7-6-18-24-17(13-26(18)9-8-25)19(27)23-16-4-2-1-3-5-16/h2,4,10-13,16H,1,3,5-9H2,(H,23,27).
What are the key properties of N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-7-(5-fluoropyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 155914277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).