N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide

C23H25N5O — CID 56531767

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCc2c[nH]c3ccccc23)n(-c2ccccn2)n1
InChIInChI=1S/C23H25N5O/c1-23(2,3)19-14-21(28(27-19)20-10-6-7-13-24-20)26-22(29)12-11-16-15-25-18-9-5-4-8-17(16)18/h4-10,13-15,25H,11-12H2,1-3H3,(H,26,29)
InChIKeyOJSLXVKOBBTRQC-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.62
Rot. Bonds5

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 56531767) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID56531767
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCc2c[nH]c3ccccc23)n(-c2ccccn2)n1
InChIInChI=1S/C23H25N5O/c1-23(2,3)19-14-21(28(27-19)20-10-6-7-13-24-20)26-22(29)12-11-16-15-25-18-9-5-4-8-17(16)18/h4-10,13-15,25H,11-12H2,1-3H3,(H,26,29)
InChIKeyOJSLXVKOBBTRQC-UHFFFAOYSA-N
XLogP4.62
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-3-(1H-indol-3-yl)propanamide
CID 33365211
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 56531739
2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56550479
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 56551243
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 56550822
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56531536
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 56531740
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)hexa-2,4-dienamide
CID 72687232
2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide
CID 56531553
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 56551244
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide (CID 56531767) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide is CC(C)(C)c1cc(NC(=O)CCc2c[nH]c3ccccc23)n(-c2ccccn2)n1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is OJSLXVKOBBTRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-23(2,3)19-14-21(28(27-19)20-10-6-7-13-24-20)26-22(29)12-11-16-15-25-18-9-5-4-8-17(16)18/h4-10,13-15,25H,11-12H2,1-3H3,(H,26,29).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 387.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 56531767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).