6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide

C22H24FN7O2 — CID 176874611

IUPAC6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4c5c(cnn5c3)[C@@H](C)C(=O)N4)CC2)c(F)n1
InChIInChI=1S/C22H24FN7O2/c1-13-15-10-25-30-12-14(9-17(19(15)30)27-21(13)31)11-28-5-7-29(8-6-28)18-4-3-16(22(32)24-2)26-20(18)23/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,24,32)(H,27,31)/t13-/m1/s1
InChIKeyWNXCFMGICGVGCT-CYBMUJFWSA-N
MW437.48 g/mol
LogP1.61
Rot. Bonds4

About 6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide

6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 176874611) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is 6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID176874611
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC Name6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4c5c(cnn5c3)[C@@H](C)C(=O)N4)CC2)c(F)n1
InChIInChI=1S/C22H24FN7O2/c1-13-15-10-25-30-12-14(9-17(19(15)30)27-21(13)31)11-28-5-7-29(8-6-28)18-4-3-16(22(32)24-2)26-20(18)23/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,24,32)(H,27,31)/t13-/m1/s1
InChIKeyWNXCFMGICGVGCT-CYBMUJFWSA-N
XLogP1.61
TPSA94.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-5-[4-[(9-fluoro-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176874617
6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171545008
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-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171544967
6-fluoro-5-[4-[(6-fluoro-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169266052
6-fluoro-N-methyl-5-[4-[[3-oxo-2-(trifluoromethyl)-4H-quinoxalin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 155586945
6-fluoro-5-[4-[(7-fluoro-12-methyl-10-oxo-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176874604
5-[4-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 155586983
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-[(9-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982808
5-[4-[(3-ethyl-5-methyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169102592
6-fluoro-5-[4-[(8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981497

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 176874611) is 6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cc4c5c(cnn5c3)[C@@H](C)C(=O)N4)CC2)c(F)n1.
What is the InChIKey of 6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is WNXCFMGICGVGCT-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-13-15-10-25-30-12-14(9-17(19(15)30)27-21(13)31)11-28-5-7-29(8-6-28)18-4-3-16(22(32)24-2)26-20(18)23/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,24,32)(H,27,31)/t13-/m1/s1.
What are the key properties of 6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-5-[4-[[(5R)-5-methyl-6-oxo-1,2,7-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-10-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176874611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).