6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C43H46ClF2N11O3 — CID 176559015

IUPAC6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(N2CCc3c(-c4ccc(CN5CCC(N6CCC(Cc7ccc(Cl)c(N8CCC(=O)NC8=O)c7)CC6)C(F)(F)C5)cn4)cccc32)nn2c(C(N)=O)cnc12
InChIInChI=1S/C43H46ClF2N11O3/c1-48-33-21-38(52-57-36(40(47)59)23-50-41(33)57)55-17-11-30-29(3-2-4-34(30)55)32-8-6-28(22-49-32)24-53-14-12-37(43(45,46)25-53)54-15-9-26(10-16-54)19-27-5-7-31(44)35(20-27)56-18-13-39(58)51-42(56)60/h2-8,20-23,26,37,48H,9-19,24-25H2,1H3,(H2,47,59)(H,51,58,60)
InChIKeyBRWGFMFFGNLCMV-UHFFFAOYSA-N
MW838.36 g/mol
LogP5.89
Rot. Bonds10

About 6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176559015) has the molecular formula C43H46ClF2N11O3 and a molecular weight of 838.36 g/mol. Its IUPAC name is 6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID176559015
Molecular FormulaC43H46ClF2N11O3
Molecular Weight838.36 g/mol
Exact Mass837.34
IUPAC Name6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(N2CCc3c(-c4ccc(CN5CCC(N6CCC(Cc7ccc(Cl)c(N8CCC(=O)NC8=O)c7)CC6)C(F)(F)C5)cn4)cccc32)nn2c(C(N)=O)cnc12
InChIInChI=1S/C43H46ClF2N11O3/c1-48-33-21-38(52-57-36(40(47)59)23-50-41(33)57)55-17-11-30-29(3-2-4-34(30)55)32-8-6-28(22-49-32)24-53-14-12-37(43(45,46)25-53)54-15-9-26(10-16-54)19-27-5-7-31(44)35(20-27)56-18-13-39(58)51-42(56)60/h2-8,20-23,26,37,48H,9-19,24-25H2,1H3,(H2,47,59)(H,51,58,60)
InChIKeyBRWGFMFFGNLCMV-UHFFFAOYSA-N
XLogP5.89
TPSA157.33 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500838.36
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

US20230286958, Example 3
CID 168679517
US20230286958, Example 23
CID 162520128
US20230286958, Example 28
CID 162520270
US20230286958, Example 22
CID 162520278
US20230286958, Example 170
CID 162520446
US20230286958, Example 171
CID 162520447
US20230286958, Example 26
CID 162520503
US20230286958, Example 27
CID 166898819
US20230286958, Example 5
CID 168679518
US20240368194, Example 42
CID 167439924
US20240368194, Example 15
CID 167439943
US20240368194, Example 63
CID 167439955

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176559015) is 6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(N2CCc3c(-c4ccc(CN5CCC(N6CCC(Cc7ccc(Cl)c(N8CCC(=O)NC8=O)c7)CC6)C(F)(F)C5)cn4)cccc32)nn2c(C(N)=O)cnc12.
What is the InChIKey of 6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is BRWGFMFFGNLCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46ClF2N11O3/c1-48-33-21-38(52-57-36(40(47)59)23-50-41(33)57)55-17-11-30-29(3-2-4-34(30)55)32-8-6-28(22-49-32)24-53-14-12-37(43(45,46)25-53)54-15-9-26(10-16-54)19-27-5-7-31(44)35(20-27)56-18-13-39(58)51-42(56)60/h2-8,20-23,26,37,48H,9-19,24-25H2,1H3,(H2,47,59)(H,51,58,60).
What are the key properties of 6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 838.36 g/mol, XLogP of 5.89, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-[[4-[4-[[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]methyl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176559015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).