5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

C20H18BrN5O2 — CID 53196151

IUPAC5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCCn1c(-c2cc(NC(=O)c3cncc(Br)c3)n[nH]2)cc2ccc(OC)cc21
InChIInChI=1S/C20H18BrN5O2/c1-3-26-17-8-15(28-2)5-4-12(17)7-18(26)16-9-19(25-24-16)23-20(27)13-6-14(21)11-22-10-13/h4-11H,3H2,1-2H3,(H2,23,24,25,27)
InChIKeyQECOWJQRSCNQON-UHFFFAOYSA-N
MW440.30 g/mol
LogP4.47
Rot. Bonds5

About 5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 53196151) has the molecular formula C20H18BrN5O2 and a molecular weight of 440.30 g/mol. Its IUPAC name is 5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID53196151
Molecular FormulaC20H18BrN5O2
Molecular Weight440.30 g/mol
Exact Mass439.06
IUPAC Name5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCCn1c(-c2cc(NC(=O)c3cncc(Br)c3)n[nH]2)cc2ccc(OC)cc21
InChIInChI=1S/C20H18BrN5O2/c1-3-26-17-8-15(28-2)5-4-12(17)7-18(26)16-9-19(25-24-16)23-20(27)13-6-14(21)11-22-10-13/h4-11H,3H2,1-2H3,(H2,23,24,25,27)
InChIKeyQECOWJQRSCNQON-UHFFFAOYSA-N
XLogP4.47
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 53196167
N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethylbenzamide
CID 53196197
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 53195961
N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 53196168
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 47423228
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxypropanamide
CID 53196011
N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]-2-phenoxyacetamide
CID 53195937
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 53196029
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
5-bromo-N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]furan-2-carboxamide
CID 53196082
N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 53196096
N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 53196135

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (CID 53196151) is 5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is CCn1c(-c2cc(NC(=O)c3cncc(Br)c3)n[nH]2)cc2ccc(OC)cc21.
What is the InChIKey of 5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is QECOWJQRSCNQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN5O2/c1-3-26-17-8-15(28-2)5-4-12(17)7-18(26)16-9-19(25-24-16)23-20(27)13-6-14(21)11-22-10-13/h4-11H,3H2,1-2H3,(H2,23,24,25,27).
What are the key properties of 5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 440.30 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 53196151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).