N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C17H21N5O2 — CID 95193065

IUPACN-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC[C@@H](NC(=O)c1c(C)nc2cc(C)ccn12)c1ccnn1C
InChIInChI=1S/C17H21N5O2/c1-11-6-8-22-15(9-11)19-12(2)16(22)17(23)20-13(10-24-4)14-5-7-18-21(14)3/h5-9,13H,10H2,1-4H3,(H,20,23)/t13-/m1/s1
InChIKeyPXKWNTLTSIIUQJ-CYBMUJFWSA-N
MW327.39 g/mol
LogP1.80
Rot. Bonds5

About N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 95193065) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID95193065
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC[C@@H](NC(=O)c1c(C)nc2cc(C)ccn12)c1ccnn1C
InChIInChI=1S/C17H21N5O2/c1-11-6-8-22-15(9-11)19-12(2)16(22)17(23)20-13(10-24-4)14-5-7-18-21(14)3/h5-9,13H,10H2,1-4H3,(H,20,23)/t13-/m1/s1
InChIKeyPXKWNTLTSIIUQJ-CYBMUJFWSA-N
XLogP1.80
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 95193065) is N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is COC[C@@H](NC(=O)c1c(C)nc2cc(C)ccn12)c1ccnn1C.
What is the InChIKey of N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PXKWNTLTSIIUQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-6-8-22-15(9-11)19-12(2)16(22)17(23)20-13(10-24-4)14-5-7-18-21(14)3/h5-9,13H,10H2,1-4H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 95193065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).