2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone

C23H23N5O2 — CID 53087516

IUPAC2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C23H23N5O2/c29-22(28-14-9-17-3-1-2-4-21(17)28)18-7-12-27(13-8-18)23(30)20-15-19(25-26-20)16-5-10-24-11-6-16/h1-6,10-11,15,18H,7-9,12-14H2,(H,25,26)
InChIKeyBUBLLRPPQYMEJU-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.91
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone (PubChem CID 53087516) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
PubChem CID53087516
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C23H23N5O2/c29-22(28-14-9-17-3-1-2-4-21(17)28)18-7-12-27(13-8-18)23(30)20-15-19(25-26-20)16-5-10-24-11-6-16/h1-6,10-11,15,18H,7-9,12-14H2,(H,25,26)
InChIKeyBUBLLRPPQYMEJU-UHFFFAOYSA-N
XLogP2.91
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53029603
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087557
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505
N-(2,6-dimethylphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087509
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
[(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 95722063
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
[1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 39557320
[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 86847153
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 95729066
2-[2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 138002006

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone (CID 53087516) is 2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone is O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
The InChIKey is BUBLLRPPQYMEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-22(28-14-9-17-3-1-2-4-21(17)28)18-7-12-27(13-8-18)23(30)20-15-19(25-26-20)16-5-10-24-11-6-16/h1-6,10-11,15,18H,7-9,12-14H2,(H,25,26).
What are the key properties of 2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone has a molecular weight of 401.47 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 53087516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).