N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine

C20H20FN5O — CID 70729014

IUPACN-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine
SMILESCOc1ccc(-c2[nH]ncc2CN(C)Cc2cnc3ccccn23)c(F)c1
InChIInChI=1S/C20H20FN5O/c1-25(13-15-11-22-19-5-3-4-8-26(15)19)12-14-10-23-24-20(14)17-7-6-16(27-2)9-18(17)21/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKeyXJXGFHMERXLXPN-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.50
Rot. Bonds6

About N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine

N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine (PubChem CID 70729014) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine.

Molecular Properties

Compound NameN-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine
PubChem CID70729014
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC NameN-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine
SMILESCOc1ccc(-c2[nH]ncc2CN(C)Cc2cnc3ccccn23)c(F)c1
InChIInChI=1S/C20H20FN5O/c1-25(13-15-11-22-19-5-3-4-8-26(15)19)12-14-10-23-24-20(14)17-7-6-16(27-2)9-18(17)21/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKeyXJXGFHMERXLXPN-UHFFFAOYSA-N
XLogP3.50
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303532
(1R)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95897705
N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303686
1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 25286903
N'-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303839
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 70757308
N'-[[1-[[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-3-methylphenoxy]methyl]-3-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 123355566
2-[5-[[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 172662427
N-(3,5-difluorophenyl)-2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]acetamide
CID 71873708
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)urea
CID 90570682
N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 42094203
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 46993702

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine?
The IUPAC name of N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine (CID 70729014) is N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine.
What is the SMILES notation for N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine?
The canonical SMILES for N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine is COc1ccc(-c2[nH]ncc2CN(C)Cc2cnc3ccccn23)c(F)c1.
What is the InChIKey of N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine?
The InChIKey is XJXGFHMERXLXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-25(13-15-11-22-19-5-3-4-8-26(15)19)12-14-10-23-24-20(14)17-7-6-16(27-2)9-18(17)21/h3-11H,12-13H2,1-2H3,(H,23,24).
What are the key properties of N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine?
N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine has a molecular weight of 365.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine is sourced from PubChem (CID 70729014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).