tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate

C18H20N4O3 — CID 67902718

IUPACtert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2[nH]n(Cc3cccnc3)c(=O)c12
InChIInChI=1S/C18H20N4O3/c1-18(2,3)25-17(24)20-13-7-4-8-14-15(13)16(23)22(21-14)11-12-6-5-9-19-10-12/h4-10,21H,11H2,1-3H3,(H,20,24)
InChIKeyGYPFUVBKCOHOMC-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.12
Rot. Bonds3

About tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate

tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate (PubChem CID 67902718) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate
PubChem CID67902718
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Nametert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2[nH]n(Cc3cccnc3)c(=O)c12
InChIInChI=1S/C18H20N4O3/c1-18(2,3)25-17(24)20-13-7-4-8-14-15(13)16(23)22(21-14)11-12-6-5-9-19-10-12/h4-10,21H,11H2,1-3H3,(H,20,24)
InChIKeyGYPFUVBKCOHOMC-UHFFFAOYSA-N
XLogP3.12
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

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CID 22668191
tert-butyl 5-methyl-1-(pyridin-3-ylmethyl)triazole-4-carboxylate
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tert-butyl N-[2-[3-(pyridin-3-ylmethyl)imidazol-4-yl]ethyl]carbamate
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tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
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tert-butyl N-(2-oxoazepin-3-yl)carbamate
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tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
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tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
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tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate
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tert-butyl N-[(E)-12-pyridin-3-yldodec-3-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate (CID 67902718) is tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cccc2[nH]n(Cc3cccnc3)c(=O)c12.
What is the InChIKey of tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate?
The InChIKey is GYPFUVBKCOHOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-18(2,3)25-17(24)20-13-7-4-8-14-15(13)16(23)22(21-14)11-12-6-5-9-19-10-12/h4-10,21H,11H2,1-3H3,(H,20,24).
What are the key properties of tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate?
tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate has a molecular weight of 340.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate is sourced from PubChem (CID 67902718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).