5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide

C24H25FN6O2 — CID 173218884

IUPAC5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide
SMILESCC1=CNc2c(cc(C(=O)NCCN3CCOCC3)c3[nH]ncc23)C(c2ccccc2F)=N1
InChIInChI=1S/C24H25FN6O2/c1-15-13-27-21-17(22(29-15)16-4-2-3-5-20(16)25)12-18(23-19(21)14-28-30-23)24(32)26-6-7-31-8-10-33-11-9-31/h2-5,12-14,27H,6-11H2,1H3,(H,26,32)(H,28,30)
InChIKeySUZWJUMEKZLJMN-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.89
Rot. Bonds5

About 5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide

5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide (PubChem CID 173218884) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide
PubChem CID173218884
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide
SMILESCC1=CNc2c(cc(C(=O)NCCN3CCOCC3)c3[nH]ncc23)C(c2ccccc2F)=N1
InChIInChI=1S/C24H25FN6O2/c1-15-13-27-21-17(22(29-15)16-4-2-3-5-20(16)25)12-18(23-19(21)14-28-30-23)24(32)26-6-7-31-8-10-33-11-9-31/h2-5,12-14,27H,6-11H2,1H3,(H,26,32)(H,28,30)
InChIKeySUZWJUMEKZLJMN-UHFFFAOYSA-N
XLogP2.89
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide
CID 71680628
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(2-methoxyethylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 25176332
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-[[(2R)-1-methoxypropan-2-yl]amino]-4-(4-methylpiperazin-1-yl)benzamide
CID 25176649
2-[4-(Morpholin-4-ylmethyl)phenyl]-2H-indazole-7-carboxamide
CID 44549650
N-Ethoxy-4-[(2-fluoro-4-iodophenyl)amino]-1H-indazole-5-carboxamide
CID 44603148
2-(4-(2-(dimethylamino)ethylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226264
2-(4-(2-(piperidin-1-yl)ethylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226266
2-(4-(2-morpholinoethylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226282
2-(4-(1,4-diazepane-1-carbonyl)phenyl)-2H-indazole-7-carboxamide
CID 46226285
2-(4-(2-morpholinoacetamido)phenyl)-2H-indazole-7-carboxamide
CID 46226303
2-(4-((1-methylpiperidine-3-carboxamido)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226352

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide (CID 173218884) is 5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide is CC1=CNc2c(cc(C(=O)NCCN3CCOCC3)c3[nH]ncc23)C(c2ccccc2F)=N1.
What is the InChIKey of 5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide?
The InChIKey is SUZWJUMEKZLJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-15-13-27-21-17(22(29-15)16-4-2-3-5-20(16)25)12-18(23-19(21)14-28-30-23)24(32)26-6-7-31-8-10-33-11-9-31/h2-5,12-14,27H,6-11H2,1H3,(H,26,32)(H,28,30).
What are the key properties of 5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide?
5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide is sourced from PubChem (CID 173218884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).