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

C18H20ClN5 — CID 174265765

IUPAC4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(Cl)cc3)c3cc[nH]c23)C1
InChIInChI=1S/C18H20ClN5/c1-24-10-2-3-14(11-24)21-18-17-15(8-9-20-17)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
InChIKeyKSBCYJHFYQOQMZ-CQSZACIVSA-N
MW341.85 g/mol
LogP3.78
Rot. Bonds3

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

4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine (PubChem CID 174265765) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine
PubChem CID174265765
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(Cl)cc3)c3cc[nH]c23)C1
InChIInChI=1S/C18H20ClN5/c1-24-10-2-3-14(11-24)21-18-17-15(8-9-20-17)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
InChIKeyKSBCYJHFYQOQMZ-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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Related Compounds

7-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-4-amine
CID 174265754
4-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-6-methylsulfanyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-amine
CID 170279708
1-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-6-methylsulfanyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-amine
CID 169230266
4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine
CID 169230288
5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 170156820
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine
CID 174266249
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]phthalazin-1-amine
CID 170553920
N-[(3R)-1-methylpiperidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-[1,3]dioxolo[4,5-d]pyridazin-4-amine
CID 174266260
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine
CID 174266279
3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81035335
5-chloro-3-fluoro-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 79728337
1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine;ethane
CID 142337470

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine (CID 174265765) is 4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine is CN1CCC[C@@H](Nc2nnc(-c3ccc(Cl)cc3)c3cc[nH]c23)C1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine?
The InChIKey is KSBCYJHFYQOQMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-24-10-2-3-14(11-24)21-18-17-15(8-9-20-17)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 4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine?
4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-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 4-(4-chlorophenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1H-pyrrolo[2,3-d]pyridazin-7-amine is sourced from PubChem (CID 174265765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).