N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C19H15N7O — CID 56908850

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(Cc1ccc2nonc2c1)c1cc(-c2ccncc2)nc2ccnn12
InChIInChI=1S/C19H15N7O/c1-25(12-13-2-3-15-17(10-13)24-27-23-15)19-11-16(14-4-7-20-8-5-14)22-18-6-9-21-26(18)19/h2-11H,12H2,1H3
InChIKeyQREJBNLIBORMII-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.96
Rot. Bonds4

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56908850) has the molecular formula C19H15N7O and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56908850
Molecular FormulaC19H15N7O
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(Cc1ccc2nonc2c1)c1cc(-c2ccncc2)nc2ccnn12
InChIInChI=1S/C19H15N7O/c1-25(12-13-2-3-15-17(10-13)24-27-23-15)19-11-16(14-4-7-20-8-5-14)22-18-6-9-21-26(18)19/h2-11H,12H2,1H3
InChIKeyQREJBNLIBORMII-UHFFFAOYSA-N
XLogP2.96
TPSA85.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56908850) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is CN(Cc1ccc2nonc2c1)c1cc(-c2ccncc2)nc2ccnn12.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QREJBNLIBORMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O/c1-25(12-13-2-3-15-17(10-13)24-27-23-15)19-11-16(14-4-7-20-8-5-14)22-18-6-9-21-26(18)19/h2-11H,12H2,1H3.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 357.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56908850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).