N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide

C20H19N5O2 — CID 53196167

IUPACN-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide
SMILESCCn1c(-c2cc(NC(=O)c3ccncc3)n[nH]2)cc2ccc(OC)cc21
InChIInChI=1S/C20H19N5O2/c1-3-25-17-11-15(27-2)5-4-14(17)10-18(25)16-12-19(24-23-16)22-20(26)13-6-8-21-9-7-13/h4-12H,3H2,1-2H3,(H2,22,23,24,26)
InChIKeyRJVZLUKSTZSYEH-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.71
Rot. Bonds5

About N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide

N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide (PubChem CID 53196167) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide
PubChem CID53196167
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide
SMILESCCn1c(-c2cc(NC(=O)c3ccncc3)n[nH]2)cc2ccc(OC)cc21
InChIInChI=1S/C20H19N5O2/c1-3-25-17-11-15(27-2)5-4-14(17)10-18(25)16-12-19(24-23-16)22-20(26)13-6-8-21-9-7-13/h4-12H,3H2,1-2H3,(H2,22,23,24,26)
InChIKeyRJVZLUKSTZSYEH-UHFFFAOYSA-N
XLogP3.71
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide (CID 53196167) is N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide is CCn1c(-c2cc(NC(=O)c3ccncc3)n[nH]2)cc2ccc(OC)cc21.
What is the InChIKey of N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide?
The InChIKey is RJVZLUKSTZSYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-25-17-11-15(27-2)5-4-14(17)10-18(25)16-12-19(24-23-16)22-20(26)13-6-8-21-9-7-13/h4-12H,3H2,1-2H3,(H2,22,23,24,26).
What are the key properties of N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide?
N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 53196167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).