N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide

C22H16N4O — CID 141188034

IUPACN-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C22H16N4O/c27-22(16-7-10-20-17(11-16)13-23-26-20)24-18-8-5-14(6-9-18)21-12-15-3-1-2-4-19(15)25-21/h1-13,25H,(H,23,26)(H,24,27)
InChIKeyUROMJUKDIGLSTP-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.96
Rot. Bonds3

About N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide

N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide (PubChem CID 141188034) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide
PubChem CID141188034
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC NameN-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C22H16N4O/c27-22(16-7-10-20-17(11-16)13-23-26-20)24-18-8-5-14(6-9-18)21-12-15-3-1-2-4-19(15)25-21/h1-13,25H,(H,23,26)(H,24,27)
InChIKeyUROMJUKDIGLSTP-UHFFFAOYSA-N
XLogP4.96
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide (CID 141188034) is N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide is O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide?
The InChIKey is UROMJUKDIGLSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-22(16-7-10-20-17(11-16)13-23-26-20)24-18-8-5-14(6-9-18)21-12-15-3-1-2-4-19(15)25-21/h1-13,25H,(H,23,26)(H,24,27).
What are the key properties of N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide?
N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 141188034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).