1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone

C36H37Cl2F2N7O3 — CID 170697153

IUPAC1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone
SMILESCOc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CNCC(F)F)cn5c4)c3Cl)c2Cl)ccc1CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C36H37Cl2F2N7O3/c1-21(48)46-13-10-24(11-14-46)43-16-22-7-8-29(45-36(22)50-3)28-6-4-5-26(32(28)37)27-9-12-42-34(33(27)38)23-15-30(49-2)35-44-25(20-47(35)19-23)17-41-18-31(39)40/h4-9,12,15,19-20,24,31,41,43H,10-11,13-14,16-18H2,1-3H3
InChIKeyJTNCNHKKNZNQIG-UHFFFAOYSA-N
MW724.64 g/mol
LogP6.90
Rot. Bonds12

About 1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone

1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone (PubChem CID 170697153) has the molecular formula C36H37Cl2F2N7O3 and a molecular weight of 724.64 g/mol. Its IUPAC name is 1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone
PubChem CID170697153
Molecular FormulaC36H37Cl2F2N7O3
Molecular Weight724.64 g/mol
Exact Mass723.23
IUPAC Name1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone
SMILESCOc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CNCC(F)F)cn5c4)c3Cl)c2Cl)ccc1CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C36H37Cl2F2N7O3/c1-21(48)46-13-10-24(11-14-46)43-16-22-7-8-29(45-36(22)50-3)28-6-4-5-26(32(28)37)27-9-12-42-34(33(27)38)23-15-30(49-2)35-44-25(20-47(35)19-23)17-41-18-31(39)40/h4-9,12,15,19-20,24,31,41,43H,10-11,13-14,16-18H2,1-3H3
InChIKeyJTNCNHKKNZNQIG-UHFFFAOYSA-N
XLogP6.90
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.64
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone (CID 170697153) is 1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone is COc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CNCC(F)F)cn5c4)c3Cl)c2Cl)ccc1CNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone?
The InChIKey is JTNCNHKKNZNQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37Cl2F2N7O3/c1-21(48)46-13-10-24(11-14-46)43-16-22-7-8-29(45-36(22)50-3)28-6-4-5-26(32(28)37)27-9-12-42-34(33(27)38)23-15-30(49-2)35-44-25(20-47(35)19-23)17-41-18-31(39)40/h4-9,12,15,19-20,24,31,41,43H,10-11,13-14,16-18H2,1-3H3.
What are the key properties of 1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone?
1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone has a molecular weight of 724.64 g/mol, XLogP of 6.90, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-[2-chloro-3-[3-chloro-2-[2-[(2,2-difluoroethylamino)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 170697153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).