8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

C20H17F2N9OS — CID 118168056

IUPAC8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(-n4nncc4C(F)F)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C20H17F2N9OS/c1-10-3-4-16(33-10)14-6-23-19-13(31-15(17(21)22)7-25-29-31)5-12(8-30(14)19)20(32)27-11(2)18-24-9-26-28-18/h3-9,11,17H,1-2H3,(H,27,32)(H,24,26,28)/t11-/m0/s1
InChIKeyATLUMXLRXIXORZ-NSHDSACASA-N
MW469.48 g/mol
LogP3.50
Rot. Bonds6

About 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168056) has the molecular formula C20H17F2N9OS and a molecular weight of 469.48 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168056
Molecular FormulaC20H17F2N9OS
Molecular Weight469.48 g/mol
Exact Mass469.12
IUPAC Name8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(-n4nncc4C(F)F)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C20H17F2N9OS/c1-10-3-4-16(33-10)14-6-23-19-13(31-15(17(21)22)7-25-29-31)5-12(8-30(14)19)20(32)27-11(2)18-24-9-26-28-18/h3-9,11,17H,1-2H3,(H,27,32)(H,24,26,28)/t11-/m0/s1
InChIKeyATLUMXLRXIXORZ-NSHDSACASA-N
XLogP3.50
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168056) is 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(-c2cnc3c(-n4nncc4C(F)F)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1.
What is the InChIKey of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ATLUMXLRXIXORZ-NSHDSACASA-N. The full InChI is InChI=1S/C20H17F2N9OS/c1-10-3-4-16(33-10)14-6-23-19-13(31-15(17(21)22)7-25-29-31)5-12(8-30(14)19)20(32)27-11(2)18-24-9-26-28-18/h3-9,11,17H,1-2H3,(H,27,32)(H,24,26,28)/t11-/m0/s1.
What are the key properties of 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 469.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)triazol-1-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).