N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide

C24H25N5O4 — CID 154943189

IUPACN-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)NC(CO)CO)c(C)c4)nccn23)cc1
InChIInChI=1S/C24H25N5O4/c1-15-11-17(5-8-20(15)24(32)28-18(13-30)14-31)27-22-23-26-12-21(29(23)10-9-25-22)16-3-6-19(33-2)7-4-16/h3-12,18,30-31H,13-14H2,1-2H3,(H,25,27)(H,28,32)
InChIKeyBHLJDQCIZNFMNR-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.54
Rot. Bonds8

About N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide

N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide (PubChem CID 154943189) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
PubChem CID154943189
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)NC(CO)CO)c(C)c4)nccn23)cc1
InChIInChI=1S/C24H25N5O4/c1-15-11-17(5-8-20(15)24(32)28-18(13-30)14-31)27-22-23-26-12-21(29(23)10-9-25-22)16-3-6-19(33-2)7-4-16/h3-12,18,30-31H,13-14H2,1-2H3,(H,25,27)(H,28,32)
InChIKeyBHLJDQCIZNFMNR-UHFFFAOYSA-N
XLogP2.54
TPSA121.01 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid
CID 175843584
[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 154943656
4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-2-methylbenzamide
CID 156780641
N-(2,2-diethoxyethyl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide;4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoic acid
CID 154944006
N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride
CID 162384534
tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate
CID 150914196
3-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methylamino]propanenitrile
CID 154943418
4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine
CID 166890004
tert-butyl N-[2-[2-[[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]ethoxy]ethyl]carbamate
CID 162384897
N-(4-methoxyphenyl)-3-phenylimidazo[1,2-a]pyrazin-8-amine
CID 11483908
N-[2-[2-[[2-[bis(2-hydroxyethyl)amino]acetyl]amino]ethoxy]ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 154943706
4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 156780646

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide (CID 154943189) is N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide is COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NC(CO)CO)c(C)c4)nccn23)cc1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide?
The InChIKey is BHLJDQCIZNFMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-15-11-17(5-8-20(15)24(32)28-18(13-30)14-31)27-22-23-26-12-21(29(23)10-9-25-22)16-3-6-19(33-2)7-4-16/h3-12,18,30-31H,13-14H2,1-2H3,(H,25,27)(H,28,32).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide?
N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide has a molecular weight of 447.50 g/mol, XLogP of 2.54, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide is sourced from PubChem (CID 154943189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).