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

C24H20ClFN10O — CID 174175861

About 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

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 (PubChem CID 174175861) has the molecular formula C24H20ClFN10O and a molecular weight of 518.94 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 174175861
• Molecular Formula: C24H20ClFN10O
• Molecular Weight: 518.94 g/mol
• Exact Mass: 518.15
• IUPAC Name: 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
• SMILES: CC1(c2cnn(C3CC3)c2)CC(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c2cnc3cc(F)nn3c21
• InChI: InChI=1S/C24H20ClFN10O/c1-24(13-9-31-34(12-13)15-2-3-15)8-16(17-11-27-20-7-19(26)33-35(20)21(17)24)23(37)32-14-6-18(25)22(28-10-14)36-29-4-5-30-36/h4-7,9-12,15-16H,2-3,8H2,1H3,(H,32,37)
• InChIKey: SORBLFKGHXBCPQ-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 120.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.94
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(c2cnn(C3CC3)c2)CC(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c2cnc3cc(F)nn3c21.

What is the InChIKey of 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?

The InChIKey is SORBLFKGHXBCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN10O/c1-24(13-9-31-34(12-13)15-2-3-15)8-16(17-11-27-20-7-19(26)33-35(20)21(17)24)23(37)32-14-6-18(25)22(28-10-14)36-29-4-5-30-36/h4-7,9-12,15-16H,2-3,8H2,1H3,(H,32,37).

What are the key properties of 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?

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 has a molecular weight of 518.94 g/mol, XLogP of 3.46, 5 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]-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 is sourced from PubChem (CID 174175861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).