N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine

C20H24N8O — CID 139646831

IUPACN,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(-c2nn(Cc3nn[nH]n3)c3ncccc23)cc1
InChIInChI=1S/C20H24N8O/c1-3-27(4-2)12-13-29-16-9-7-15(8-10-16)19-17-6-5-11-21-20(17)28(24-19)14-18-22-25-26-23-18/h5-11H,3-4,12-14H2,1-2H3,(H,22,23,25,26)
InChIKeyIXMHCNZVPDCPMM-UHFFFAOYSA-N
MW392.47 g/mol
LogP2.38
Rot. Bonds9

About N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine

N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine (PubChem CID 139646831) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine
PubChem CID139646831
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC NameN,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(-c2nn(Cc3nn[nH]n3)c3ncccc23)cc1
InChIInChI=1S/C20H24N8O/c1-3-27(4-2)12-13-29-16-9-7-15(8-10-16)19-17-6-5-11-21-20(17)28(24-19)14-18-22-25-26-23-18/h5-11H,3-4,12-14H2,1-2H3,(H,22,23,25,26)
InChIKeyIXMHCNZVPDCPMM-UHFFFAOYSA-N
XLogP2.38
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine (CID 139646831) is N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine is CCN(CC)CCOc1ccc(-c2nn(Cc3nn[nH]n3)c3ncccc23)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine?
The InChIKey is IXMHCNZVPDCPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-3-27(4-2)12-13-29-16-9-7-15(8-10-16)19-17-6-5-11-21-20(17)28(24-19)14-18-22-25-26-23-18/h5-11H,3-4,12-14H2,1-2H3,(H,22,23,25,26).
What are the key properties of N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine?
N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine has a molecular weight of 392.47 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[1-(2H-tetrazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-3-yl]phenoxy]ethanamine is sourced from PubChem (CID 139646831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).