N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide

C26H22FN9O — CID 169074711

IUPACN-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccn2)c(F)c1-c1cc2cn/c(=N\c3cnn(C)c3)nc-2n2c1NCC2
InChIInChI=1S/C26H22FN9O/c1-15-6-7-19(33-25(37)20-5-3-4-8-28-20)22(27)21(15)18-11-16-12-30-26(32-17-13-31-35(2)14-17)34-23(16)36-10-9-29-24(18)36/h3-8,11-14,29H,9-10H2,1-2H3,(H,33,37)/b32-26+
InChIKeyLIQNGKQRGZODEL-HMZBKAONSA-N
MW495.52 g/mol
LogP3.54
Rot. Bonds4

About N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide

N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide (PubChem CID 169074711) has the molecular formula C26H22FN9O and a molecular weight of 495.52 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide
PubChem CID169074711
Molecular FormulaC26H22FN9O
Molecular Weight495.52 g/mol
Exact Mass495.19
IUPAC NameN-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccn2)c(F)c1-c1cc2cn/c(=N\c3cnn(C)c3)nc-2n2c1NCC2
InChIInChI=1S/C26H22FN9O/c1-15-6-7-19(33-25(37)20-5-3-4-8-28-20)22(27)21(15)18-11-16-12-30-26(32-17-13-31-35(2)14-17)34-23(16)36-10-9-29-24(18)36/h3-8,11-14,29H,9-10H2,1-2H3,(H,33,37)/b32-26+
InChIKeyLIQNGKQRGZODEL-HMZBKAONSA-N
XLogP3.54
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

tert-butyl N-[2-fluoro-4-methyl-3-(12-methylimino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl)phenyl]carbamate
CID 169075262
(Z)-7-(2-chlorophenyl)-N-(2-methylpyrazol-3-yl)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-12-imine
CID 169075047
N-[4-methyl-3-[(12Z)-12-(1,3,4-oxadiazol-2-ylimino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 169075176
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-[3-[12-(3-fluoro-4-methylphenyl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]-4-methylphenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
CID 169220825
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
N-(2-methyl-1,3-dioxoisoindol-4-yl)pyridine-2-carboxamide
CID 110745316
N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
CID 55037245
N-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136878680
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115
N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide (CID 169074711) is N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccccn2)c(F)c1-c1cc2cn/c(=N\c3cnn(C)c3)nc-2n2c1NCC2.
What is the InChIKey of N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is LIQNGKQRGZODEL-HMZBKAONSA-N. The full InChI is InChI=1S/C26H22FN9O/c1-15-6-7-19(33-25(37)20-5-3-4-8-28-20)22(27)21(15)18-11-16-12-30-26(32-17-13-31-35(2)14-17)34-23(16)36-10-9-29-24(18)36/h3-8,11-14,29H,9-10H2,1-2H3,(H,33,37)/b32-26+.
What are the key properties of N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide?
N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 495.52 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-methyl-3-[12-(1-methylpyrazol-4-yl)imino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 169074711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).