7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine

C14H18BrN5 — CID 164769313

IUPAC7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine
SMILESCCn1nc(Br)c2c(N)ncc(C3=CCC(N)CC3)c21
InChIInChI=1S/C14H18BrN5/c1-2-20-12-10(8-3-5-9(16)6-4-8)7-18-14(17)11(12)13(15)19-20/h3,7,9H,2,4-6,16H2,1H3,(H2,17,18)
InChIKeyOWNAKIIBEIXZIT-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.69
Rot. Bonds2

About 7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine

7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine (PubChem CID 164769313) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine
PubChem CID164769313
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine
SMILESCCn1nc(Br)c2c(N)ncc(C3=CCC(N)CC3)c21
InChIInChI=1S/C14H18BrN5/c1-2-20-12-10(8-3-5-9(16)6-4-8)7-18-14(17)11(12)13(15)19-20/h3,7,9H,2,4-6,16H2,1H3,(H2,17,18)
InChIKeyOWNAKIIBEIXZIT-UHFFFAOYSA-N
XLogP2.69
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine (CID 164769313) is 7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine is CCn1nc(Br)c2c(N)ncc(C3=CCC(N)CC3)c21.
What is the InChIKey of 7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine?
The InChIKey is OWNAKIIBEIXZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-2-20-12-10(8-3-5-9(16)6-4-8)7-18-14(17)11(12)13(15)19-20/h3,7,9H,2,4-6,16H2,1H3,(H2,17,18).
What are the key properties of 7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine?
7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine has a molecular weight of 336.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminocyclohexen-1-yl)-3-bromo-1-ethylpyrazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 164769313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).