4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide

C25H23N7O2 — CID 67120782

IUPAC4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1ccc(Nc2cnc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C25H23N7O2/c33-24(31-19-7-8-26-13-19)15-1-4-18(5-2-15)30-21-14-28-22(32-10-9-27-23(21)32)16-3-6-20-17(11-16)12-29-25(20)34/h1-6,9-11,14,19,26,30H,7-8,12-13H2,(H,29,34)(H,31,33)
InChIKeyDRKMOVNJNHONHZ-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.47
Rot. Bonds5

About 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide

4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide (PubChem CID 67120782) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide
PubChem CID67120782
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1ccc(Nc2cnc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C25H23N7O2/c33-24(31-19-7-8-26-13-19)15-1-4-18(5-2-15)30-21-14-28-22(32-10-9-27-23(21)32)16-3-6-20-17(11-16)12-29-25(20)34/h1-6,9-11,14,19,26,30H,7-8,12-13H2,(H,29,34)(H,31,33)
InChIKeyDRKMOVNJNHONHZ-UHFFFAOYSA-N
XLogP2.47
TPSA112.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide
CID 24988892
ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
CID 143681962
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 24990032
5-[8-(cyclobutylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 25115382
ethane;5-[8-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123850246
N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158991214
5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 58046113
5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 58046201
4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 159943943
5-[8-[4-(azonan-1-yliodanuidyl)anilino]imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 163821028
5-[8-(pyridin-3-ylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 59023000
5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 24988521

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide (CID 67120782) is 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide is O=C(NC1CCNC1)c1ccc(Nc2cnc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.
What is the InChIKey of 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide?
The InChIKey is DRKMOVNJNHONHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c33-24(31-19-7-8-26-13-19)15-1-4-18(5-2-15)30-21-14-28-22(32-10-9-27-23(21)32)16-3-6-20-17(11-16)12-29-25(20)34/h1-6,9-11,14,19,26,30H,7-8,12-13H2,(H,29,34)(H,31,33).
What are the key properties of 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide?
4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide has a molecular weight of 453.51 g/mol, XLogP of 2.47, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 67120782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).