7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine

C18H20ClN5 — CID 174265754

IUPAC7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(Cl)cc3)c3[nH]ccc23)C1
InChIInChI=1S/C18H20ClN5/c1-24-10-2-3-14(11-24)21-18-15-8-9-20-17(15)16(22-23-18)12-4-6-13(19)7-5-12/h4-9,14,20H,2-3,10-11H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyPBOYAEVNTWVGIB-CQSZACIVSA-N
MW341.85 g/mol
LogP3.78
Rot. Bonds3

About 7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine

7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine (PubChem CID 174265754) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine
PubChem CID174265754
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(Cl)cc3)c3[nH]ccc23)C1
InChIInChI=1S/C18H20ClN5/c1-24-10-2-3-14(11-24)21-18-15-8-9-20-17(15)16(22-23-18)12-4-6-13(19)7-5-12/h4-9,14,20H,2-3,10-11H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyPBOYAEVNTWVGIB-CQSZACIVSA-N
XLogP3.78
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine?
The IUPAC name of 7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine (CID 174265754) is 7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine.
What is the SMILES notation for 7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine?
The canonical SMILES for 7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine is CN1CCC[C@@H](Nc2nnc(-c3ccc(Cl)cc3)c3[nH]ccc23)C1.
What is the InChIKey of 7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine?
The InChIKey is PBOYAEVNTWVGIB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-24-10-2-3-14(11-24)21-18-15-8-9-20-17(15)16(22-23-18)12-4-6-13(19)7-5-12/h4-9,14,20H,2-3,10-11H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine?
7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine has a molecular weight of 341.85 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine is sourced from PubChem (CID 174265754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).