5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid

C46H35F2N11O6 — CID 171794258

IUPAC5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCc1ncccc1-c1cnc(NCc2c(F)cc(C3CC3c3ncc(-c4cnc(NCc5c(F)ccc6c5CCO6)n5cc(C(=O)O)nc45)c(C)n3)c3occc23)n2cc(C(=O)O)nc12
InChIInChI=1S/C46H35F2N11O6/c1-21-23(4-3-9-49-21)32-17-53-46(58-19-36(43(60)61)56-41(32)58)52-16-31-25-8-11-65-39(25)27(13-35(31)48)26-12-28(26)40-50-14-29(22(2)55-40)33-18-54-45(59-20-37(44(62)63)57-42(33)59)51-15-30-24-7-10-64-38(24)6-5-34(30)47/h3-6,8-9,11,13-14,17-20,26,28H,7,10,12,15-16H2,1-2H3,(H,51,54)(H,52,53)(H,60,61)(H,62,63)
InChIKeyYIVJZEMUGGSORW-UHFFFAOYSA-N
MW875.85 g/mol
LogP7.76
Rot. Bonds12

About 5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid

5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid (PubChem CID 171794258) has the molecular formula C46H35F2N11O6 and a molecular weight of 875.85 g/mol. Its IUPAC name is 5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
PubChem CID171794258
Molecular FormulaC46H35F2N11O6
Molecular Weight875.85 g/mol
Exact Mass875.27
IUPAC Name5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCc1ncccc1-c1cnc(NCc2c(F)cc(C3CC3c3ncc(-c4cnc(NCc5c(F)ccc6c5CCO6)n5cc(C(=O)O)nc45)c(C)n3)c3occc23)n2cc(C(=O)O)nc12
InChIInChI=1S/C46H35F2N11O6/c1-21-23(4-3-9-49-21)32-17-53-46(58-19-36(43(60)61)56-41(32)58)52-16-31-25-8-11-65-39(25)27(13-35(31)48)26-12-28(26)40-50-14-29(22(2)55-40)33-18-54-45(59-20-37(44(62)63)57-42(33)59)51-15-30-24-7-10-64-38(24)6-5-34(30)47/h3-6,8-9,11,13-14,17-20,26,28H,7,10,12,15-16H2,1-2H3,(H,51,54)(H,52,53)(H,60,61)(H,62,63)
InChIKeyYIVJZEMUGGSORW-UHFFFAOYSA-N
XLogP7.76
TPSA220.08 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500875.85
LogP ≤ 57.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[8-[2-(benzofuro[3,2-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-7-(4,4-dimethyl-1-piperidyl)-5-methyl-imidazo[1,2-a]pyridin-6-yl]-2-tert-butoxy-acetic acid
CID 168272052
US11220509, Example 3
CID 139381694
US11091495, Example 2
CID 139381716
US11091495, Example 3
CID 139381724
US11091495, Example 12
CID 139381725
5-(2-Cyano-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidin-8-yl)picolinic acid
CID 155676938
US11091495, Example 6
CID 155788051
US11091495, Example 7
CID 155788158
US11091495, Example 9
CID 155788174
US20250289799, Example 176
CID 176244098
US20250289799, Example 175
CID 176244142
5-[(5-Fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(propan-2-ylamino)methyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-c]pyrimidine-1-carboxylic acid
CID 162413026

Frequently Asked Questions

What is the IUPAC name of 5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid (CID 171794258) is 5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid is Cc1ncccc1-c1cnc(NCc2c(F)cc(C3CC3c3ncc(-c4cnc(NCc5c(F)ccc6c5CCO6)n5cc(C(=O)O)nc45)c(C)n3)c3occc23)n2cc(C(=O)O)nc12.
What is the InChIKey of 5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The InChIKey is YIVJZEMUGGSORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35F2N11O6/c1-21-23(4-3-9-49-21)32-17-53-46(58-19-36(43(60)61)56-41(32)58)52-16-31-25-8-11-65-39(25)27(13-35(31)48)26-12-28(26)40-50-14-29(22(2)55-40)33-18-54-45(59-20-37(44(62)63)57-42(33)59)51-15-30-24-7-10-64-38(24)6-5-34(30)47/h3-6,8-9,11,13-14,17-20,26,28H,7,10,12,15-16H2,1-2H3,(H,51,54)(H,52,53)(H,60,61)(H,62,63).
What are the key properties of 5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid has a molecular weight of 875.85 g/mol, XLogP of 7.76, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-[2-[5-[2-carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 171794258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).