benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate

C21H18N4O2 — CID 155544785

IUPACbenzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)OCc4ccccc4)ccc23)ccn1
InChIInChI=1S/C21H18N4O2/c1-14-11-16(9-10-22-14)20-18-8-7-17(12-19(18)24-25-20)23-21(26)27-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyWWUMBMALEWSGCB-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.68
Rot. Bonds4

About benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate

benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate (PubChem CID 155544785) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate
PubChem CID155544785
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Namebenzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)OCc4ccccc4)ccc23)ccn1
InChIInChI=1S/C21H18N4O2/c1-14-11-16(9-10-22-14)20-18-8-7-17(12-19(18)24-25-20)23-21(26)27-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyWWUMBMALEWSGCB-UHFFFAOYSA-N
XLogP4.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate?
The IUPAC name of benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate (CID 155544785) is benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate?
The canonical SMILES for benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate is Cc1cc(-c2n[nH]c3cc(NC(=O)OCc4ccccc4)ccc23)ccn1.
What is the InChIKey of benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate?
The InChIKey is WWUMBMALEWSGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-11-16(9-10-22-14)20-18-8-7-17(12-19(18)24-25-20)23-21(26)27-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate?
benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate has a molecular weight of 358.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate is sourced from PubChem (CID 155544785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).