tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate

C17H20N6O3 — CID 156539845

IUPACtert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
SMILESCC(=O)n1ncc2c(-c3cnn(C)c3)c(NC(=O)OC(C)(C)C)ncc21
InChIInChI=1S/C17H20N6O3/c1-10(24)23-13-8-18-15(21-16(25)26-17(2,3)4)14(12(13)7-20-23)11-6-19-22(5)9-11/h6-9H,1-5H3,(H,18,21,25)
InChIKeyWNYNACDSDNGOAV-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.84
Rot. Bonds2

About tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate

tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate (PubChem CID 156539845) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
PubChem CID156539845
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Nametert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
SMILESCC(=O)n1ncc2c(-c3cnn(C)c3)c(NC(=O)OC(C)(C)C)ncc21
InChIInChI=1S/C17H20N6O3/c1-10(24)23-13-8-18-15(21-16(25)26-17(2,3)4)14(12(13)7-20-23)11-6-19-22(5)9-11/h6-9H,1-5H3,(H,18,21,25)
InChIKeyWNYNACDSDNGOAV-UHFFFAOYSA-N
XLogP2.84
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate?
The IUPAC name of tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate (CID 156539845) is tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate is CC(=O)n1ncc2c(-c3cnn(C)c3)c(NC(=O)OC(C)(C)C)ncc21.
What is the InChIKey of tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate?
The InChIKey is WNYNACDSDNGOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-10(24)23-13-8-18-15(21-16(25)26-17(2,3)4)14(12(13)7-20-23)11-6-19-22(5)9-11/h6-9H,1-5H3,(H,18,21,25).
What are the key properties of tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate?
tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate has a molecular weight of 356.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate is sourced from PubChem (CID 156539845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).