N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide

C41H38F2N14O2 — CID 154991760

IUPACN-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide
SMILESCC(C)n1cnnc1-c1cc(CC(C)n2cnnc2-c2cccc(NC(=O)c3cc4c(cnn4CC4CC4)cc3F)n2)cc(NC(=O)c2cc3c(cnn3C)cc2F)n1
InChIInChI=1S/C41H38F2N14O2/c1-22(2)55-20-44-53-39(55)33-11-25(12-37(49-33)51-41(59)28-15-34-26(13-30(28)42)17-46-54(34)4)10-23(3)56-21-45-52-38(56)32-6-5-7-36(48-32)50-40(58)29-16-35-27(14-31(29)43)18-47-57(35)19-24-8-9-24/h5-7,11-18,20-24H,8-10,19H2,1-4H3,(H,48,50,58)(H,49,51,59)
InChIKeyCYYUOBJUHNYFDE-UHFFFAOYSA-N
MW796.85 g/mol
LogP6.81
Rot. Bonds12

About N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide

N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide (PubChem CID 154991760) has the molecular formula C41H38F2N14O2 and a molecular weight of 796.85 g/mol. Its IUPAC name is N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide
PubChem CID154991760
Molecular FormulaC41H38F2N14O2
Molecular Weight796.85 g/mol
Exact Mass796.33
IUPAC NameN-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide
SMILESCC(C)n1cnnc1-c1cc(CC(C)n2cnnc2-c2cccc(NC(=O)c3cc4c(cnn4CC4CC4)cc3F)n2)cc(NC(=O)c2cc3c(cnn3C)cc2F)n1
InChIInChI=1S/C41H38F2N14O2/c1-22(2)55-20-44-53-39(55)33-11-25(12-37(49-33)51-41(59)28-15-34-26(13-30(28)42)17-46-54(34)4)10-23(3)56-21-45-52-38(56)32-6-5-7-36(48-32)50-40(58)29-16-35-27(14-31(29)43)18-47-57(35)19-24-8-9-24/h5-7,11-18,20-24H,8-10,19H2,1-4H3,(H,48,50,58)(H,49,51,59)
InChIKeyCYYUOBJUHNYFDE-UHFFFAOYSA-N
XLogP6.81
TPSA181.04 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500796.85
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide?
The IUPAC name of N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide (CID 154991760) is N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide.
What is the SMILES notation for N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide?
The canonical SMILES for N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide is CC(C)n1cnnc1-c1cc(CC(C)n2cnnc2-c2cccc(NC(=O)c3cc4c(cnn4CC4CC4)cc3F)n2)cc(NC(=O)c2cc3c(cnn3C)cc2F)n1.
What is the InChIKey of N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide?
The InChIKey is CYYUOBJUHNYFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38F2N14O2/c1-22(2)55-20-44-53-39(55)33-11-25(12-37(49-33)51-41(59)28-15-34-26(13-30(28)42)17-46-54(34)4)10-23(3)56-21-45-52-38(56)32-6-5-7-36(48-32)50-40(58)29-16-35-27(14-31(29)43)18-47-57(35)19-24-8-9-24/h5-7,11-18,20-24H,8-10,19H2,1-4H3,(H,48,50,58)(H,49,51,59).
What are the key properties of N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide?
N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide has a molecular weight of 796.85 g/mol, XLogP of 6.81, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-[6-[[1-(cyclopropylmethyl)-5-fluoroindazole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-fluoro-1-methylindazole-6-carboxamide is sourced from PubChem (CID 154991760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).