6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C48H58ClF2N11O5 — CID 176558077

IUPAC6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(N2CCc3c(CN4CC[C@H](N5CCC(C6CCN(C(=O)c7ccc(Cl)c(N8CCC(=O)NC8=O)c7)CC6)CC5)C(F)(F)C4)cccc32)nn2c(C(=O)N[C@@H]3CC[C@H]3OC)cnc12
InChIInChI=1S/C48H58ClF2N11O5/c1-52-36-25-42(56-62-39(26-53-44(36)62)45(64)54-35-8-9-40(35)67-2)60-22-14-33-32(4-3-5-37(33)60)27-57-17-15-41(48(50,51)28-57)58-18-10-29(11-19-58)30-12-20-59(21-13-30)46(65)31-6-7-34(49)38(24-31)61-23-16-43(63)55-47(61)66/h3-7,24-26,29-30,35,40-41,52H,8-23,27-28H2,1-2H3,(H,54,64)(H,55,63,66)/t35-,40-,41+/m1/s1
InChIKeyDKBHXYAZYODWPN-BJXDEYHXSA-N
MW942.51 g/mol
LogP5.95
Rot. Bonds11

About 6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176558077) has the molecular formula C48H58ClF2N11O5 and a molecular weight of 942.51 g/mol. Its IUPAC name is 6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID176558077
Molecular FormulaC48H58ClF2N11O5
Molecular Weight942.51 g/mol
Exact Mass941.43
IUPAC Name6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(N2CCc3c(CN4CC[C@H](N5CCC(C6CCN(C(=O)c7ccc(Cl)c(N8CCC(=O)NC8=O)c7)CC6)CC5)C(F)(F)C4)cccc32)nn2c(C(=O)N[C@@H]3CC[C@H]3OC)cnc12
InChIInChI=1S/C48H58ClF2N11O5/c1-52-36-25-42(56-62-39(26-53-44(36)62)45(64)54-35-8-9-40(35)67-2)60-22-14-33-32(4-3-5-37(33)60)27-57-17-15-41(48(50,51)28-57)58-18-10-29(11-19-58)30-12-20-59(21-13-30)46(65)31-6-7-34(49)38(24-31)61-23-16-43(63)55-47(61)66/h3-7,24-26,29-30,35,40-41,52H,8-23,27-28H2,1-2H3,(H,54,64)(H,55,63,66)/t35-,40-,41+/m1/s1
InChIKeyDKBHXYAZYODWPN-BJXDEYHXSA-N
XLogP5.95
TPSA159.99 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500942.51
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetamide
CID 156010404
US20240368194, Example 37
CID 167439878
US20240368194, Example 24
CID 167439893
US20240368194, Example 42
CID 167439924
US20240368194, Example 15
CID 167439943
US20240368194, Example 20
CID 167439967
US20240368194, Example 34
CID 167439975
US20240368194, Example 19
CID 167439979
US20240368194, Example 18
CID 167439990
US20240368194, Example 25
CID 167439998
US20240368194, Example 21
CID 167440006
US20240368194, Example 57
CID 167440007

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176558077) is 6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(N2CCc3c(CN4CC[C@H](N5CCC(C6CCN(C(=O)c7ccc(Cl)c(N8CCC(=O)NC8=O)c7)CC6)CC5)C(F)(F)C4)cccc32)nn2c(C(=O)N[C@@H]3CC[C@H]3OC)cnc12.
What is the InChIKey of 6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DKBHXYAZYODWPN-BJXDEYHXSA-N. The full InChI is InChI=1S/C48H58ClF2N11O5/c1-52-36-25-42(56-62-39(26-53-44(36)62)45(64)54-35-8-9-40(35)67-2)60-22-14-33-32(4-3-5-37(33)60)27-57-17-15-41(48(50,51)28-57)58-18-10-29(11-19-58)30-12-20-59(21-13-30)46(65)31-6-7-34(49)38(24-31)61-23-16-43(63)55-47(61)66/h3-7,24-26,29-30,35,40-41,52H,8-23,27-28H2,1-2H3,(H,54,64)(H,55,63,66)/t35-,40-,41+/m1/s1.
What are the key properties of 6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 942.51 g/mol, XLogP of 5.95, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(4S)-4-[4-[1-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]piperidin-1-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-[(1R,2R)-2-methoxycyclobutyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176558077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).