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

C24H30FN5O2 — CID 176560737

IUPAC5-[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
SMILESCCc1ccc(C23CCC(N4CCN(c5ccc(C(=O)NC)nc5F)CC4)C2C3)[nH]c1=O
InChIInChI=1S/C24H30FN5O2/c1-3-15-4-7-20(28-22(15)31)24-9-8-18(16(24)14-24)29-10-12-30(13-11-29)19-6-5-17(23(32)26-2)27-21(19)25/h4-7,16,18H,3,8-14H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyUDUCPWGYDHZZBO-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.07
Rot. Bonds5

About 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

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 (PubChem CID 176560737) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID176560737
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name5-[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
SMILESCCc1ccc(C23CCC(N4CCN(c5ccc(C(=O)NC)nc5F)CC4)C2C3)[nH]c1=O
InChIInChI=1S/C24H30FN5O2/c1-3-15-4-7-20(28-22(15)31)24-9-8-18(16(24)14-24)29-10-12-30(13-11-29)19-6-5-17(23(32)26-2)27-21(19)25/h4-7,16,18H,3,8-14H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyUDUCPWGYDHZZBO-UHFFFAOYSA-N
XLogP2.07
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1ccc(C23CCC(N4CCN(c5ccc(C(=O)NC)nc5F)CC4)C2C3)[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is UDUCPWGYDHZZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-3-15-4-7-20(28-22(15)31)24-9-8-18(16(24)14-24)29-10-12-30(13-11-29)19-6-5-17(23(32)26-2)27-21(19)25/h4-7,16,18H,3,8-14H2,1-2H3,(H,26,32)(H,28,31).
What are the key properties of 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?
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 has a molecular weight of 439.54 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176560737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).