N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide

C20H16N4O — CID 127047745

IUPACN-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C20H16N4O/c25-20(22-13-14-4-2-1-3-5-14)16-6-7-18-17(12-16)19(24-23-18)15-8-10-21-11-9-15/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyUEMWDQVZICMXHX-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.55
Rot. Bonds4

About N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide

N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047745) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047745
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C20H16N4O/c25-20(22-13-14-4-2-1-3-5-14)16-6-7-18-17(12-16)19(24-23-18)15-8-10-21-11-9-15/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyUEMWDQVZICMXHX-UHFFFAOYSA-N
XLogP3.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047745) is N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is UEMWDQVZICMXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(22-13-14-4-2-1-3-5-14)16-6-7-18-17(12-16)19(24-23-18)15-8-10-21-11-9-15/h1-12H,13H2,(H,22,25)(H,23,24).
What are the key properties of N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).