N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide

C27H24N6O2 — CID 47090894

IUPACN-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C27H24N6O2/c34-26(28-15-16-29-27(35)25-23-8-3-4-9-24(23)31-32-25)22-7-2-1-6-21(22)20-12-10-19(11-13-20)18-33-17-5-14-30-33/h1-14,17H,15-16,18H2,(H,28,34)(H,29,35)(H,31,32)
InChIKeyGIWSNUKKXRVSOL-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.63
Rot. Bonds8

About N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide

N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide (PubChem CID 47090894) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
PubChem CID47090894
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC NameN-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C27H24N6O2/c34-26(28-15-16-29-27(35)25-23-8-3-4-9-24(23)31-32-25)22-7-2-1-6-21(22)20-12-10-19(11-13-20)18-33-17-5-14-30-33/h1-14,17H,15-16,18H2,(H,28,34)(H,29,35)(H,31,32)
InChIKeyGIWSNUKKXRVSOL-UHFFFAOYSA-N
XLogP3.63
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide (CID 47090894) is N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide is O=C(NCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide?
The InChIKey is GIWSNUKKXRVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c34-26(28-15-16-29-27(35)25-23-8-3-4-9-24(23)31-32-25)22-7-2-1-6-21(22)20-12-10-19(11-13-20)18-33-17-5-14-30-33/h1-14,17H,15-16,18H2,(H,28,34)(H,29,35)(H,31,32).
What are the key properties of N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide?
N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 47090894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).