phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C25H26N4O — CID 91884590

IUPACphenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESO=C(c1ccccc1)N1[C@@H]2CC[C@H]1C(CN1CCc3cc(-c4cn[nH]c4)ccc31)C2
InChIInChI=1S/C25H26N4O/c30-25(17-4-2-1-3-5-17)29-22-7-9-24(29)20(13-22)16-28-11-10-19-12-18(6-8-23(19)28)21-14-26-27-15-21/h1-6,8,12,14-15,20,22,24H,7,9-11,13,16H2,(H,26,27)/t20?,22-,24+/m1/s1
InChIKeyZRPKIZAOLMMOQX-ZUBLCLOHSA-N
MW398.51 g/mol
LogP4.13
Rot. Bonds4

About phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 91884590) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Namephenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID91884590
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Namephenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESO=C(c1ccccc1)N1[C@@H]2CC[C@H]1C(CN1CCc3cc(-c4cn[nH]c4)ccc31)C2
InChIInChI=1S/C25H26N4O/c30-25(17-4-2-1-3-5-17)29-22-7-9-24(29)20(13-22)16-28-11-10-19-12-18(6-8-23(19)28)21-14-26-27-15-21/h1-6,8,12,14-15,20,22,24H,7,9-11,13,16H2,(H,26,27)/t20?,22-,24+/m1/s1
InChIKeyZRPKIZAOLMMOQX-ZUBLCLOHSA-N
XLogP4.13
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone 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

[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone
CID 118960211
N-[1-(3-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-5-yl)benzamide
CID 146209058
3-methyl-N-[3-[[3-(1H-pyrazol-4-yl)-1H-indazol-6-yl]amino]phenyl]benzamide
CID 176216953
US10112929, Example 388
CID 122515850
US10112929, Example 393
CID 122515875
5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]-1H-indazole-3-carboxamide
CID 139431477
1-(2,3-dihydroindol-1-yl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]ethanone
CID 75385294
N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indazole-5-carboxamide
CID 177661568
N-(2,3-dihydro-1H-isoindol-5-yl)-3-fluoro-5-(1H-pyrazol-4-yl)benzamide
CID 177661582
6-fluoro-N-[(1S)-1-phenyl-2,3-dihydro-1H-isoindol-5-yl]-1H-indazole-4-carboxamide
CID 177662281
2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-dihydroindole-4-carboxamide
CID 177662771
N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indazole-7-carboxamide
CID 177662814

Frequently Asked Questions

What is the IUPAC name of phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 91884590) is phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is O=C(c1ccccc1)N1[C@@H]2CC[C@H]1C(CN1CCc3cc(-c4cn[nH]c4)ccc31)C2.
What is the InChIKey of phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is ZRPKIZAOLMMOQX-ZUBLCLOHSA-N. The full InChI is InChI=1S/C25H26N4O/c30-25(17-4-2-1-3-5-17)29-22-7-9-24(29)20(13-22)16-28-11-10-19-12-18(6-8-23(19)28)21-14-26-27-15-21/h1-6,8,12,14-15,20,22,24H,7,9-11,13,16H2,(H,26,27)/t20?,22-,24+/m1/s1.
What are the key properties of phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(1S,4R)-2-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 91884590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).