N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C23H20F3N9O — CID 134609918

IUPACN-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCc1cc(NC(=O)c2cnn(-c3cccc4nccn34)c2C(F)(F)F)c(CC)nc1-n1nccn1
InChIInChI=1S/C23H20F3N9O/c1-3-14-12-17(16(4-2)31-21(14)35-28-8-9-29-35)32-22(36)15-13-30-34(20(15)23(24,25)26)19-7-5-6-18-27-10-11-33(18)19/h5-13H,3-4H2,1-2H3,(H,32,36)
InChIKeyGISBRZXFHGMAOI-UHFFFAOYSA-N
MW495.47 g/mol
LogP3.89
Rot. Bonds6

About N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609918) has the molecular formula C23H20F3N9O and a molecular weight of 495.47 g/mol. Its IUPAC name is N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609918
Molecular FormulaC23H20F3N9O
Molecular Weight495.47 g/mol
Exact Mass495.17
IUPAC NameN-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCc1cc(NC(=O)c2cnn(-c3cccc4nccn34)c2C(F)(F)F)c(CC)nc1-n1nccn1
InChIInChI=1S/C23H20F3N9O/c1-3-14-12-17(16(4-2)31-21(14)35-28-8-9-29-35)32-22(36)15-13-30-34(20(15)23(24,25)26)19-7-5-6-18-27-10-11-33(18)19/h5-13H,3-4H2,1-2H3,(H,32,36)
InChIKeyGISBRZXFHGMAOI-UHFFFAOYSA-N
XLogP3.89
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609918) is N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is CCc1cc(NC(=O)c2cnn(-c3cccc4nccn34)c2C(F)(F)F)c(CC)nc1-n1nccn1.
What is the InChIKey of N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is GISBRZXFHGMAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N9O/c1-3-14-12-17(16(4-2)31-21(14)35-28-8-9-29-35)32-22(36)15-13-30-34(20(15)23(24,25)26)19-7-5-6-18-27-10-11-33(18)19/h5-13H,3-4H2,1-2H3,(H,32,36).
What are the key properties of N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 495.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethyl-6-(triazol-2-yl)-3-pyridinyl]-1-imidazo[1,2-a]pyridin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).