N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide

C22H18ClFN10O — CID 174175912

IUPACN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESCn1ccc(C2(C)CC(C(=O)Nc3cnc(-n4nccn4)c(Cl)c3)c3cnc4cc(F)nn4c32)n1
InChIInChI=1S/C22H18ClFN10O/c1-22(16-3-6-32(2)30-16)9-13(14-11-25-18-8-17(24)31-33(18)19(14)22)21(35)29-12-7-15(23)20(26-10-12)34-27-4-5-28-34/h3-8,10-11,13H,9H2,1-2H3,(H,29,35)
InChIKeyVGYXEYUHYVCTIO-UHFFFAOYSA-N
MW492.91 g/mol
LogP2.66
Rot. Bonds4

About N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide

N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide (PubChem CID 174175912) has the molecular formula C22H18ClFN10O and a molecular weight of 492.91 g/mol. Its IUPAC name is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
PubChem CID174175912
Molecular FormulaC22H18ClFN10O
Molecular Weight492.91 g/mol
Exact Mass492.13
IUPAC NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESCn1ccc(C2(C)CC(C(=O)Nc3cnc(-n4nccn4)c(Cl)c3)c3cnc4cc(F)nn4c32)n1
InChIInChI=1S/C22H18ClFN10O/c1-22(16-3-6-32(2)30-16)9-13(14-11-25-18-8-17(24)31-33(18)19(14)22)21(35)29-12-7-15(23)20(26-10-12)34-27-4-5-28-34/h3-8,10-11,13H,9H2,1-2H3,(H,29,35)
InChIKeyVGYXEYUHYVCTIO-UHFFFAOYSA-N
XLogP2.66
TPSA120.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.91
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide with MolForge

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Related Compounds

(5S)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600367
(3S,5S)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[1-(difluoromethyl)pyrazol-4-yl]-11-fluoro-3-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 170741382
(3S,5S)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-propan-2-ylpyrazol-4-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 170741133
(3R)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-propan-2-ylpyrazol-4-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 170741232
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(1-cyclopropylpyrazol-4-yl)-11-fluoro-3-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 174175861
(5S)-11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600659
(3S,5S)-11-fluoro-3-methyl-3-(1-methylpyrazol-4-yl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 170741434
(5R)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,3,11-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600306
(3R,5S)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1,3-thiazol-5-yl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 177249684
3-[1-(difluoromethyl)pyrazol-4-yl]-11-fluoro-3-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 174175928
11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]spiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide
CID 171466324
(5R)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-10-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600465

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide (CID 174175912) is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The canonical SMILES for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide is Cn1ccc(C2(C)CC(C(=O)Nc3cnc(-n4nccn4)c(Cl)c3)c3cnc4cc(F)nn4c32)n1.
What is the InChIKey of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The InChIKey is VGYXEYUHYVCTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN10O/c1-22(16-3-6-32(2)30-16)9-13(14-11-25-18-8-17(24)31-33(18)19(14)22)21(35)29-12-7-15(23)20(26-10-12)34-27-4-5-28-34/h3-8,10-11,13H,9H2,1-2H3,(H,29,35).
What are the key properties of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide has a molecular weight of 492.91 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(1-methylpyrazol-3-yl)-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide is sourced from PubChem (CID 174175912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).