4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate

C23H26N4O3 — CID 18415770

IUPAC4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate
SMILESO.O=C(NCCN1CCOCC1)c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C23H24N4O2.H2O/c28-23(24-9-10-27-11-13-29-14-12-27)17-7-5-16(6-8-17)21-20-15-18-3-1-2-4-19(18)22(20)26-25-21;/h1-8H,9-15H2,(H,24,28)(H,25,26);1H2
InChIKeyJTKRKXQFOOFKNO-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.89
Rot. Bonds5

About 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate

4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate (PubChem CID 18415770) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate.

Molecular Properties

Compound Name4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate
PubChem CID18415770
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate
SMILESO.O=C(NCCN1CCOCC1)c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C23H24N4O2.H2O/c28-23(24-9-10-27-11-13-29-14-12-27)17-7-5-16(6-8-17)21-20-15-18-3-1-2-4-19(18)22(20)26-25-21;/h1-8H,9-15H2,(H,24,28)(H,25,26);1H2
InChIKeyJTKRKXQFOOFKNO-UHFFFAOYSA-N
XLogP1.89
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953986
4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide
CID 18415999
1-(carbamoylamino)-1-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-(2-piperidin-1-ylethyl)urea
CID 70165572
N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415871
4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 57383478
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]benzamide
CID 18415776
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 42691502
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]piperidine-1-carboxamide
CID 18415820
N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772105
CID 57297707
CID 57297707
ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate
CID 91634471

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate?
The IUPAC name of 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate (CID 18415770) is 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate.
What is the SMILES notation for 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate?
The canonical SMILES for 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate is O.O=C(NCCN1CCOCC1)c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate?
The InChIKey is JTKRKXQFOOFKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.H2O/c28-23(24-9-10-27-11-13-29-14-12-27)17-7-5-16(6-8-17)21-20-15-18-3-1-2-4-19(18)22(20)26-25-21;/h1-8H,9-15H2,(H,24,28)(H,25,26);1H2.
What are the key properties of 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate?
4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate has a molecular weight of 406.49 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate is sourced from PubChem (CID 18415770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).