N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C21H21N5O2 — CID 164613660

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1
InChIInChI=1S/C21H21N5O2/c1-14(15-4-7-18(28-3)8-5-15)24-21(27)19-11-22-20-9-6-16(13-26(19)20)17-10-23-25(2)12-17/h4-14H,1-3H3,(H,24,27)/t14-/m1/s1
InChIKeyXFBQGNNACTXBPY-CQSZACIVSA-N
MW375.43 g/mol
LogP3.23
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 164613660) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID164613660
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1
InChIInChI=1S/C21H21N5O2/c1-14(15-4-7-18(28-3)8-5-15)24-21(27)19-11-22-20-9-6-16(13-26(19)20)17-10-23-25(2)12-17/h4-14H,1-3H3,(H,24,27)/t14-/m1/s1
InChIKeyXFBQGNNACTXBPY-CQSZACIVSA-N
XLogP3.23
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 164613660) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XFBQGNNACTXBPY-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14(15-4-7-18(28-3)8-5-15)24-21(27)19-11-22-20-9-6-16(13-26(19)20)17-10-23-25(2)12-17/h4-14H,1-3H3,(H,24,27)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 164613660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).