About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride (PubChem CID 170164597) has the molecular formula C41H47Cl2N9O4
and a molecular weight of 800.79 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride.
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Frequently Asked Questions
What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride (CID 170164597) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride is Cl.N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(CN5CCC[C@@H](n6ccc7c(N8CCC(=O)NC8=O)cccc76)C5)CC4)nn3)CC2)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride?
The InChIKey is XZHQRYTYAARFCZ-ADGNVCHCSA-N. The full InChI is InChI=1S/C41H46ClN9O4.ClH/c42-34-23-32(9-6-28(34)24-43)55-31-10-7-29(8-11-31)44-40(53)35-12-13-38(47-46-35)49-19-14-27(15-20-49)25-48-18-2-3-30(26-48)50-21-16-33-36(50)4-1-5-37(33)51-22-17-39(52)45-41(51)54;/h1,4-6,9,12-13,16,21,23,27,29-31H,2-3,7-8,10-11,14-15,17-20,22,25-26H2,(H,44,53)(H,45,52,54);1H/t29?,30-,31?;/m1./s1.
What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride?
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride has a molecular weight of 800.79 g/mol, XLogP of 6.50, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3R)-3-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 170164597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).