N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide

C24H24FN7O2 — CID 154961175

IUPACN-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide
SMILES[H]/N=C(\N)CCN(C)C(=O)c1ccc(Nc2nccn3c(-c4ccc(O)c(F)c4)cnc23)cc1C
InChIInChI=1S/C24H24FN7O2/c1-14-11-16(4-5-17(14)24(34)31(2)9-7-21(26)27)30-22-23-29-13-19(32(23)10-8-28-22)15-3-6-20(33)18(25)12-15/h3-6,8,10-13,33H,7,9H2,1-2H3,(H3,26,27)(H,28,30)
InChIKeyYYTLREBGMWRVFZ-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.69
Rot. Bonds7

About N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide

N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide (PubChem CID 154961175) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide
PubChem CID154961175
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC NameN-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide
SMILES[H]/N=C(\N)CCN(C)C(=O)c1ccc(Nc2nccn3c(-c4ccc(O)c(F)c4)cnc23)cc1C
InChIInChI=1S/C24H24FN7O2/c1-14-11-16(4-5-17(14)24(34)31(2)9-7-21(26)27)30-22-23-29-13-19(32(23)10-8-28-22)15-3-6-20(33)18(25)12-15/h3-6,8,10-13,33H,7,9H2,1-2H3,(H3,26,27)(H,28,30)
InChIKeyYYTLREBGMWRVFZ-UHFFFAOYSA-N
XLogP3.69
TPSA132.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride
CID 166593370
2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 166593305
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
2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
CID 166593371
(3S,4R)-1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxy-N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 154943498
N-(2-aminoethyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 167318488
[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 154943640
2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
CID 150596520
[4-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 149453016
[(2R)-azetidin-2-yl]-[4-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]methanone
CID 154943693
[2-bromo-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 154943973
N-[2-(2-aminoethylsulfanyl)ethyl]-4-[[3-[4-(2,2-difluoroethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 166579754

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide?
The IUPAC name of N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide (CID 154961175) is N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide?
The canonical SMILES for N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide is [H]/N=C(\N)CCN(C)C(=O)c1ccc(Nc2nccn3c(-c4ccc(O)c(F)c4)cnc23)cc1C.
What is the InChIKey of N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide?
The InChIKey is YYTLREBGMWRVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-14-11-16(4-5-17(14)24(34)31(2)9-7-21(26)27)30-22-23-29-13-19(32(23)10-8-28-22)15-3-6-20(33)18(25)12-15/h3-6,8,10-13,33H,7,9H2,1-2H3,(H3,26,27)(H,28,30).
What are the key properties of N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide?
N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide has a molecular weight of 461.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 154961175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).