N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide

C21H18N6O3 — CID 135887152

IUPACN-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccco5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C21H18N6O3/c1-12-23-21(30-26-12)18-9-14-8-13(5-6-16(14)24-18)19-10-17(25-27(19)2)20(28)22-11-15-4-3-7-29-15/h3-10,24H,11H2,1-2H3,(H,22,28)
InChIKeyDCWAIWNFZJKOIN-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.45
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide

N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide (PubChem CID 135887152) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide
PubChem CID135887152
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccco5)nn4C)ccc3[nH]2)n1
InChIInChI=1S/C21H18N6O3/c1-12-23-21(30-26-12)18-9-14-8-13(5-6-16(14)24-18)19-10-17(25-27(19)2)20(28)22-11-15-4-3-7-29-15/h3-10,24H,11H2,1-2H3,(H,22,28)
InChIKeyDCWAIWNFZJKOIN-UHFFFAOYSA-N
XLogP3.45
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide (CID 135887152) is N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide is Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccco5)nn4C)ccc3[nH]2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
The InChIKey is DCWAIWNFZJKOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-12-23-21(30-26-12)18-9-14-8-13(5-6-16(14)24-18)19-10-17(25-27(19)2)20(28)22-11-15-4-3-7-29-15/h3-10,24H,11H2,1-2H3,(H,22,28).
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 135887152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).