8-(4-fluoropiperidin-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

C22H24FN7OS — CID 118167934

IUPAC8-(4-fluoropiperidin-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(N4CCC(F)CC4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C22H24FN7OS/c1-13-3-4-19(32-13)18-10-24-21-17(29-7-5-16(23)6-8-29)9-15(11-30(18)21)22(31)27-14(2)20-25-12-26-28-20/h3-4,9-12,14,16H,5-8H2,1-2H3,(H,27,31)(H,25,26,28)/t14-/m0/s1
InChIKeyFVJAIDOTSRSDKF-AWEZNQCLSA-N
MW453.55 g/mol
LogP3.92
Rot. Bonds5

About 8-(4-fluoropiperidin-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-(4-fluoropiperidin-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 118167934) has the molecular formula C22H24FN7OS and a molecular weight of 453.55 g/mol. Its IUPAC name is 8-(4-fluoropiperidin-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-(4-fluoropiperidin-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 CID118167934
Molecular FormulaC22H24FN7OS
Molecular Weight453.55 g/mol
Exact Mass453.17
IUPAC Name8-(4-fluoropiperidin-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(N4CCC(F)CC4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C22H24FN7OS/c1-13-3-4-19(32-13)18-10-24-21-17(29-7-5-16(23)6-8-29)9-15(11-30(18)21)22(31)27-14(2)20-25-12-26-28-20/h3-4,9-12,14,16H,5-8H2,1-2H3,(H,27,31)(H,25,26,28)/t14-/m0/s1
InChIKeyFVJAIDOTSRSDKF-AWEZNQCLSA-N
XLogP3.92
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoropiperidin-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-(4-fluoropiperidin-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 118167934) is 8-(4-fluoropiperidin-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-(4-fluoropiperidin-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-(4-fluoropiperidin-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(N4CCC(F)CC4)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1.
What is the InChIKey of 8-(4-fluoropiperidin-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 FVJAIDOTSRSDKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24FN7OS/c1-13-3-4-19(32-13)18-10-24-21-17(29-7-5-16(23)6-8-29)9-15(11-30(18)21)22(31)27-14(2)20-25-12-26-28-20/h3-4,9-12,14,16H,5-8H2,1-2H3,(H,27,31)(H,25,26,28)/t14-/m0/s1.
What are the key properties of 8-(4-fluoropiperidin-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-(4-fluoropiperidin-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 453.55 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoropiperidin-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 118167934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).