N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide

C43H50ClN9O4 — CID 169195008

IUPACN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
SMILESCC(C1CCN(CC2CCN(c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)c(Cl)c5)CC4)nn3)CC2)CC1)n1ccc2c(N3CCC(=O)NC3=O)cccc21
InChIInChI=1S/C43H50ClN9O4/c1-28(52-23-17-35-38(52)3-2-4-39(35)53-24-18-41(54)47-43(53)56)30-15-19-50(20-16-30)27-29-13-21-51(22-14-29)40-12-11-37(48-49-40)42(55)46-32-6-9-33(10-7-32)57-34-8-5-31(26-45)36(44)25-34/h2-5,8,11-12,17,23,25,28-30,32-33H,6-7,9-10,13-16,18-22,24,27H2,1H3,(H,46,55)(H,47,54,56)
InChIKeySDWFBDKVWJNOGL-UHFFFAOYSA-N
MW792.38 g/mol
LogP6.71
Rot. Bonds10

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 169195008) has the molecular formula C43H50ClN9O4 and a molecular weight of 792.38 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID169195008
Molecular FormulaC43H50ClN9O4
Molecular Weight792.38 g/mol
Exact Mass791.37
IUPAC NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
SMILESCC(C1CCN(CC2CCN(c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)c(Cl)c5)CC4)nn3)CC2)CC1)n1ccc2c(N3CCC(=O)NC3=O)cccc21
InChIInChI=1S/C43H50ClN9O4/c1-28(52-23-17-35-38(52)3-2-4-39(35)53-24-18-41(54)47-43(53)56)30-15-19-50(20-16-30)27-29-13-21-51(22-14-29)40-12-11-37(48-49-40)42(55)46-32-6-9-33(10-7-32)57-34-8-5-31(26-45)36(44)25-34/h2-5,8,11-12,17,23,25,28-30,32-33H,6-7,9-10,13-16,18-22,24,27H2,1H3,(H,46,55)(H,47,54,56)
InChIKeySDWFBDKVWJNOGL-UHFFFAOYSA-N
XLogP6.71
TPSA148.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.38
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide with MolForge

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Related Compounds

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
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]piperidin-1-yl]pyridazine-3-carboxamide
CID 170166134
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 169195351
N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indazol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 169195442
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzamide
CID 170165604
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3R)-3-[[4-[4-(2-hydroxy-4-oxo-1,3-diazinan-1-yl)indazol-1-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 169194991
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-oxopiperidin-1-yl)pyridazine-3-carboxamide
CID 155212141
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide;hydrochloride
CID 170165055
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 176801264
4-[4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazin-1-yl]-2-[(2,6-dioxopiperidin-3-yl)carbamoyl]-5-fluorobenzoic acid
CID 135261741
N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 176986293
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 156550801

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide (CID 169195008) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide is CC(C1CCN(CC2CCN(c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)c(Cl)c5)CC4)nn3)CC2)CC1)n1ccc2c(N3CCC(=O)NC3=O)cccc21.
What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is SDWFBDKVWJNOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50ClN9O4/c1-28(52-23-17-35-38(52)3-2-4-39(35)53-24-18-41(54)47-43(53)56)30-15-19-50(20-16-30)27-29-13-21-51(22-14-29)40-12-11-37(48-49-40)42(55)46-32-6-9-33(10-7-32)57-34-8-5-31(26-45)36(44)25-34/h2-5,8,11-12,17,23,25,28-30,32-33H,6-7,9-10,13-16,18-22,24,27H2,1H3,(H,46,55)(H,47,54,56).
What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 792.38 g/mol, XLogP of 6.71, 10 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-[[4-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 169195008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).