[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid

C29H30N4O5 — CID 70818165

IUPAC[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid
SMILESCOCCN(C(=O)O)c1cc(Oc2ccccc2C)cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12
InChIInChI=1S/C29H30N4O5/c1-18-6-4-5-7-26(18)38-22-15-24(32(29(35)36)12-13-37-3)27-30-16-25(33(27)17-22)20-8-11-23(19(2)14-20)28(34)31-21-9-10-21/h4-8,11,14-17,21H,9-10,12-13H2,1-3H3,(H,31,34)(H,35,36)
InChIKeyJELPFCDAPUDZGI-UHFFFAOYSA-N
MW514.58 g/mol
LogP5.43
Rot. Bonds9

About [3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid

[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid (PubChem CID 70818165) has the molecular formula C29H30N4O5 and a molecular weight of 514.58 g/mol. Its IUPAC name is [3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid.

Molecular Properties

Compound Name[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid
PubChem CID70818165
Molecular FormulaC29H30N4O5
Molecular Weight514.58 g/mol
Exact Mass514.22
IUPAC Name[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid
SMILESCOCCN(C(=O)O)c1cc(Oc2ccccc2C)cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12
InChIInChI=1S/C29H30N4O5/c1-18-6-4-5-7-26(18)38-22-15-24(32(29(35)36)12-13-37-3)27-30-16-25(33(27)17-22)20-8-11-23(19(2)14-20)28(34)31-21-9-10-21/h4-8,11,14-17,21H,9-10,12-13H2,1-3H3,(H,31,34)(H,35,36)
InChIKeyJELPFCDAPUDZGI-UHFFFAOYSA-N
XLogP5.43
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 118102453
tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 161024571
[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid
CID 88995651
N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67975867
N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 161088628
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380552
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67974322
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
tert-butyl N-[3-(4-carbamoyl-3-methylphenyl)-6-(5-fluoro-2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2,2-difluoroethyl)carbamate
CID 163539221
N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 118643539
N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide
CID 123391928
N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382091

Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid?
The IUPAC name of [3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid (CID 70818165) is [3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid.
What is the SMILES notation for [3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid?
The canonical SMILES for [3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid is COCCN(C(=O)O)c1cc(Oc2ccccc2C)cn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12.
What is the InChIKey of [3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid?
The InChIKey is JELPFCDAPUDZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O5/c1-18-6-4-5-7-26(18)38-22-15-24(32(29(35)36)12-13-37-3)27-30-16-25(33(27)17-22)20-8-11-23(19(2)14-20)28(34)31-21-9-10-21/h4-8,11,14-17,21H,9-10,12-13H2,1-3H3,(H,31,34)(H,35,36).
What are the key properties of [3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid?
[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid has a molecular weight of 514.58 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid is sourced from PubChem (CID 70818165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).