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

C22H31N7O — CID 118168041

IUPAC3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCc1cnc2c(N3CCC(C)CC3)cc(C(=O)N[C@@H](C)c3ncn[nH]3)cn12
InChIInChI=1S/C22H31N7O/c1-4-5-6-18-12-23-21-19(28-9-7-15(2)8-10-28)11-17(13-29(18)21)22(30)26-16(3)20-24-14-25-27-20/h11-16H,4-10H2,1-3H3,(H,26,30)(H,24,25,27)/t16-/m0/s1
InChIKeyWHKNKAFBRZDGMN-INIZCTEOSA-N
MW409.54 g/mol
LogP3.52
Rot. Bonds7

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

3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168041) has the molecular formula C22H31N7O and a molecular weight of 409.54 g/mol. Its IUPAC name is 3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168041
Molecular FormulaC22H31N7O
Molecular Weight409.54 g/mol
Exact Mass409.26
IUPAC Name3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCc1cnc2c(N3CCC(C)CC3)cc(C(=O)N[C@@H](C)c3ncn[nH]3)cn12
InChIInChI=1S/C22H31N7O/c1-4-5-6-18-12-23-21-19(28-9-7-15(2)8-10-28)11-17(13-29(18)21)22(30)26-16(3)20-24-14-25-27-20/h11-16H,4-10H2,1-3H3,(H,26,30)(H,24,25,27)/t16-/m0/s1
InChIKeyWHKNKAFBRZDGMN-INIZCTEOSA-N
XLogP3.52
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168041) is 3-butyl-8-(4-methylpiperidin-1-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 3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is CCCCc1cnc2c(N3CCC(C)CC3)cc(C(=O)N[C@@H](C)c3ncn[nH]3)cn12.
What is the InChIKey of 3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is WHKNKAFBRZDGMN-INIZCTEOSA-N. The full InChI is InChI=1S/C22H31N7O/c1-4-5-6-18-12-23-21-19(28-9-7-15(2)8-10-28)11-17(13-29(18)21)22(30)26-16(3)20-24-14-25-27-20/h11-16H,4-10H2,1-3H3,(H,26,30)(H,24,25,27)/t16-/m0/s1.
What are the key properties of 3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 409.54 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-(4-methylpiperidin-1-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).