ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine

C14H22N4O — CID 143765615

IUPACethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC.COc1ccnc2c(N3CCNCC3)c[nH]c12
InChIInChI=1S/C12H16N4O.C2H6/c1-17-10-2-3-14-11-9(8-15-12(10)11)16-6-4-13-5-7-16;1-2/h2-3,8,13,15H,4-7H2,1H3;1-2H3
InChIKeyCLYQPKYSJFKWEV-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.01
Rot. Bonds2

About ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine

ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 143765615) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Nameethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID143765615
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Nameethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC.COc1ccnc2c(N3CCNCC3)c[nH]c12
InChIInChI=1S/C12H16N4O.C2H6/c1-17-10-2-3-14-11-9(8-15-12(10)11)16-6-4-13-5-7-16;1-2/h2-3,8,13,15H,4-7H2,1H3;1-2H3
InChIKeyCLYQPKYSJFKWEV-UHFFFAOYSA-N
XLogP2.01
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 46856450
5-methoxy-4-methyl-3-piperazin-1-yl-1H-indole
CID 82622654
5,8-dimethyl-4-piperazin-1-ylquinoline
CID 43840516
1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
CID 71756588
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline
CID 67504085
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine
CID 140978412
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
1-(4-iodo-2-methoxyphenyl)piperazine
CID 134534497
4-piperazin-1-yl-1,5-naphthyridine
CID 57013367

Frequently Asked Questions

What is the IUPAC name of ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine (CID 143765615) is ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine is CC.COc1ccnc2c(N3CCNCC3)c[nH]c12.
What is the InChIKey of ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is CLYQPKYSJFKWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.C2H6/c1-17-10-2-3-14-11-9(8-15-12(10)11)16-6-4-13-5-7-16;1-2/h2-3,8,13,15H,4-7H2,1H3;1-2H3.
What are the key properties of ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine?
ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 262.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methoxy-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 143765615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).