N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide

C25H21N5O4 — CID 141244857

IUPACN-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide
SMILESNC(=O)C1(C(Cc2ccccc2)NC(=O)c2cccnc2-n2cc3ccccc3n2)OC=CO1
InChIInChI=1S/C25H21N5O4/c26-24(32)25(33-13-14-34-25)21(15-17-7-2-1-3-8-17)28-23(31)19-10-6-12-27-22(19)30-16-18-9-4-5-11-20(18)29-30/h1-14,16,21H,15H2,(H2,26,32)(H,28,31)
InChIKeyTULCXTRXYVKLSY-UHFFFAOYSA-N
MW455.47 g/mol
LogP2.46
Rot. Bonds7

About N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide

N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide (PubChem CID 141244857) has the molecular formula C25H21N5O4 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide
PubChem CID141244857
Molecular FormulaC25H21N5O4
Molecular Weight455.47 g/mol
Exact Mass455.16
IUPAC NameN-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide
SMILESNC(=O)C1(C(Cc2ccccc2)NC(=O)c2cccnc2-n2cc3ccccc3n2)OC=CO1
InChIInChI=1S/C25H21N5O4/c26-24(32)25(33-13-14-34-25)21(15-17-7-2-1-3-8-17)28-23(31)19-10-6-12-27-22(19)30-16-18-9-4-5-11-20(18)29-30/h1-14,16,21H,15H2,(H2,26,32)(H,28,31)
InChIKeyTULCXTRXYVKLSY-UHFFFAOYSA-N
XLogP2.46
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide (CID 141244857) is N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide is NC(=O)C1(C(Cc2ccccc2)NC(=O)c2cccnc2-n2cc3ccccc3n2)OC=CO1.
What is the InChIKey of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide?
The InChIKey is TULCXTRXYVKLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4/c26-24(32)25(33-13-14-34-25)21(15-17-7-2-1-3-8-17)28-23(31)19-10-6-12-27-22(19)30-16-18-9-4-5-11-20(18)29-30/h1-14,16,21H,15H2,(H2,26,32)(H,28,31).
What are the key properties of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide?
N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 141244857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).