N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide

C18H16N4O — CID 2473567

IUPACN-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1n[nH]c2ccccc12
InChIInChI=1S/C18H16N4O/c23-18(17-14-6-2-4-8-16(14)21-22-17)19-10-9-12-11-20-15-7-3-1-5-13(12)15/h1-8,11,20H,9-10H2,(H,19,23)(H,21,22)
InChIKeyJWIPKFXVVRUWAM-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide (PubChem CID 2473567) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
PubChem CID2473567
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1n[nH]c2ccccc12
InChIInChI=1S/C18H16N4O/c23-18(17-14-6-2-4-8-16(14)21-22-17)19-10-9-12-11-20-15-7-3-1-5-13(12)15/h1-8,11,20H,9-10H2,(H,19,23)(H,21,22)
InChIKeyJWIPKFXVVRUWAM-UHFFFAOYSA-N
XLogP3.02
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide (CID 2473567) is N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is JWIPKFXVVRUWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(17-14-6-2-4-8-16(14)21-22-17)19-10-9-12-11-20-15-7-3-1-5-13(12)15/h1-8,11,20H,9-10H2,(H,19,23)(H,21,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 2473567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).