6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C25H25FN6O2 — CID 172555032

IUPAC6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4c5c(c3)[nH]c(=O)c3ccc(n35)CC4)CC2)c(F)n1
InChIInChI=1S/C25H25FN6O2/c1-27-24(33)18-5-7-20(23(26)28-18)31-10-8-30(9-11-31)14-15-12-16-2-3-17-4-6-21-25(34)29-19(13-15)22(16)32(17)21/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,27,33)(H,29,34)
InChIKeyVLOXJFVNUSISOX-UHFFFAOYSA-N
MW460.51 g/mol
LogP2.10
Rot. Bonds4

About 6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 172555032) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID172555032
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4c5c(c3)[nH]c(=O)c3ccc(n35)CC4)CC2)c(F)n1
InChIInChI=1S/C25H25FN6O2/c1-27-24(33)18-5-7-20(23(26)28-18)31-10-8-30(9-11-31)14-15-12-16-2-3-17-4-6-21-25(34)29-19(13-15)22(16)32(17)21/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,27,33)(H,29,34)
InChIKeyVLOXJFVNUSISOX-UHFFFAOYSA-N
XLogP2.10
TPSA85.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

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CID 49798387
CID 56599348
CID 56599348
CID 56599548
CID 56599548
CID 68011369
CID 68011369
CID 169449335
CID 169449335
CID 5307606
CID 5307606
CID 5308835
CID 5308835
CID 7346162
CID 7346162

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 172555032) is 6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cc4c5c(c3)[nH]c(=O)c3ccc(n35)CC4)CC2)c(F)n1.
What is the InChIKey of 6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is VLOXJFVNUSISOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-27-24(33)18-5-7-20(23(26)28-18)31-10-8-30(9-11-31)14-15-12-16-2-3-17-4-6-21-25(34)29-19(13-15)22(16)32(17)21/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,27,33)(H,29,34).
What are the key properties of 6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-5-[4-[(2-oxo-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaen-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 172555032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).