5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide

C23H29FN6O2 — CID 176560632

IUPAC5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCc1cnc(C23CC(N4CCN(c5ccc(C(=O)NC)nc5F)CC4)CC2C3)[nH]c1=O
InChIInChI=1S/C23H29FN6O2/c1-3-14-13-26-22(28-20(14)31)23-11-15(23)10-16(12-23)29-6-8-30(9-7-29)18-5-4-17(21(32)25-2)27-19(18)24/h4-5,13,15-16H,3,6-12H2,1-2H3,(H,25,32)(H,26,28,31)
InChIKeyLGCRTQQOAIBNMU-UHFFFAOYSA-N
MW440.52 g/mol
LogP1.47
Rot. Bonds5

About 5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide

5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 176560632) has the molecular formula C23H29FN6O2 and a molecular weight of 440.52 g/mol. Its IUPAC name is 5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
PubChem CID176560632
Molecular FormulaC23H29FN6O2
Molecular Weight440.52 g/mol
Exact Mass440.23
IUPAC Name5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCc1cnc(C23CC(N4CCN(c5ccc(C(=O)NC)nc5F)CC4)CC2C3)[nH]c1=O
InChIInChI=1S/C23H29FN6O2/c1-3-14-13-26-22(28-20(14)31)23-11-15(23)10-16(12-23)29-6-8-30(9-7-29)18-5-4-17(21(32)25-2)27-19(18)24/h4-5,13,15-16H,3,6-12H2,1-2H3,(H,25,32)(H,26,28,31)
InChIKeyLGCRTQQOAIBNMU-UHFFFAOYSA-N
XLogP1.47
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-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

5-[4-[5-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560400
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560575
5-[4-[5-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560737
N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560384
5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 171812238
6-fluoro-5-[4-[3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964503
ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 168900115
6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560429
6-fluoro-N-methyl-5-[4-[3-(6-oxo-5-propyl-1H-pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148659
6-fluoro-5-[4-[(8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981497
5-[4-[(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169189566
6-fluoro-5-[4-[(6-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172560205

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide (CID 176560632) is 5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is CCc1cnc(C23CC(N4CCN(c5ccc(C(=O)NC)nc5F)CC4)CC2C3)[nH]c1=O.
What is the InChIKey of 5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is LGCRTQQOAIBNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O2/c1-3-14-13-26-22(28-20(14)31)23-11-15(23)10-16(12-23)29-6-8-30(9-7-29)18-5-4-17(21(32)25-2)27-19(18)24/h4-5,13,15-16H,3,6-12H2,1-2H3,(H,25,32)(H,26,28,31).
What are the key properties of 5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176560632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).