(1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate

C17H18N4O2 — CID 4648895

IUPAC(1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)nc2c1c(-c1ccccc1)nn2C
InChIInChI=1S/C17H18N4O2/c1-11-10-13(23-17(22)20(2)3)18-16-14(11)15(19-21(16)4)12-8-6-5-7-9-12/h5-10H,1-4H3
InChIKeyHWYWLHUFOIPTPR-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.00
Rot. Bonds2

About (1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate

(1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate (PubChem CID 4648895) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate
PubChem CID4648895
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)nc2c1c(-c1ccccc1)nn2C
InChIInChI=1S/C17H18N4O2/c1-11-10-13(23-17(22)20(2)3)18-16-14(11)15(19-21(16)4)12-8-6-5-7-9-12/h5-10H,1-4H3
InChIKeyHWYWLHUFOIPTPR-UHFFFAOYSA-N
XLogP3.00
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate?
The IUPAC name of (1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate (CID 4648895) is (1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate is Cc1cc(OC(=O)N(C)C)nc2c1c(-c1ccccc1)nn2C.
What is the InChIKey of (1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate?
The InChIKey is HWYWLHUFOIPTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-10-13(23-17(22)20(2)3)18-16-14(11)15(19-21(16)4)12-8-6-5-7-9-12/h5-10H,1-4H3.
What are the key properties of (1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate?
(1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate has a molecular weight of 310.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 4648895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).