N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide

C27H28N4O3 — CID 118102453

IUPACN-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1Oc1cc(NCCO)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2c1
InChIInChI=1S/C27H28N4O3/c1-17-5-3-4-6-25(17)34-21-14-23(28-11-12-32)26-29-15-24(31(26)16-21)19-7-10-22(18(2)13-19)27(33)30-20-8-9-20/h3-7,10,13-16,20,28,32H,8-9,11-12H2,1-2H3,(H,30,33)
InChIKeyICSWFGPYRAXKFD-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.71
Rot. Bonds8

About N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (PubChem CID 118102453) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
PubChem CID118102453
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1Oc1cc(NCCO)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2c1
InChIInChI=1S/C27H28N4O3/c1-17-5-3-4-6-25(17)34-21-14-23(28-11-12-32)26-29-15-24(31(26)16-21)19-7-10-22(18(2)13-19)27(33)30-20-8-9-20/h3-7,10,13-16,20,28,32H,8-9,11-12H2,1-2H3,(H,30,33)
InChIKeyICSWFGPYRAXKFD-UHFFFAOYSA-N
XLogP4.71
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide with MolForge

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Related Compounds

[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid
CID 70818165
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
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
4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide;4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 162150760
4-(8-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-methylbenzamide;4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 159768311
2-cyclobutyl-1-[4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]ethanone;4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 159179480
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380552
4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid;methyl 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate
CID 160810981
N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67975867
4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
CID 158480442
methyl 4-[6-(3-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate
CID 70818254
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67974322

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (CID 118102453) is N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is Cc1ccccc1Oc1cc(NCCO)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2c1.
What is the InChIKey of N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The InChIKey is ICSWFGPYRAXKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-17-5-3-4-6-25(17)34-21-14-23(28-11-12-32)26-29-15-24(31(26)16-21)19-7-10-22(18(2)13-19)27(33)30-20-8-9-20/h3-7,10,13-16,20,28,32H,8-9,11-12H2,1-2H3,(H,30,33).
What are the key properties of N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide has a molecular weight of 456.55 g/mol, XLogP of 4.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 118102453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).