N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine

C22H28N4O2 — CID 170166878

IUPACN-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
SMILESCOc1ccc(-c2nnc(NC3CCCN(C4CC4)C3)c3c2CCOC3)cc1
InChIInChI=1S/C22H28N4O2/c1-27-18-8-4-15(5-9-18)21-19-10-12-28-14-20(19)22(25-24-21)23-16-3-2-11-26(13-16)17-6-7-17/h4-5,8-9,16-17H,2-3,6-7,10-14H2,1H3,(H,23,25)
InChIKeyCXAFMOUYXIPJPA-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.26
Rot. Bonds5

About N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine

N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine (PubChem CID 170166878) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
PubChem CID170166878
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
SMILESCOc1ccc(-c2nnc(NC3CCCN(C4CC4)C3)c3c2CCOC3)cc1
InChIInChI=1S/C22H28N4O2/c1-27-18-8-4-15(5-9-18)21-19-10-12-28-14-20(19)22(25-24-21)23-16-3-2-11-26(13-16)17-6-7-17/h4-5,8-9,16-17H,2-3,6-7,10-14H2,1H3,(H,23,25)
InChIKeyCXAFMOUYXIPJPA-UHFFFAOYSA-N
XLogP3.26
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
The IUPAC name of N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine (CID 170166878) is N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine is COc1ccc(-c2nnc(NC3CCCN(C4CC4)C3)c3c2CCOC3)cc1.
What is the InChIKey of N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
The InChIKey is CXAFMOUYXIPJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-27-18-8-4-15(5-9-18)21-19-10-12-28-14-20(19)22(25-24-21)23-16-3-2-11-26(13-16)17-6-7-17/h4-5,8-9,16-17H,2-3,6-7,10-14H2,1H3,(H,23,25).
What are the key properties of N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine has a molecular weight of 380.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 170166878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).