1-[4-[[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone

C38H41Cl2N7O4 — CID 170983472

IUPAC1-[4-[[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone
SMILESCOc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CN6CCOCC6)cn5c4)c3Cl)c2Cl)ccc1CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C38H41Cl2N7O4/c1-24(48)46-13-10-27(11-14-46)42-20-25-7-8-32(44-38(25)50-3)31-6-4-5-29(34(31)39)30-9-12-41-36(35(30)40)26-19-33(49-2)37-43-28(23-47(37)21-26)22-45-15-17-51-18-16-45/h4-9,12,19,21,23,27,42H,10-11,13-18,20,22H2,1-3H3
InChIKeyHMZIWJJTRAAOTI-UHFFFAOYSA-N
MW730.70 g/mol
LogP6.38
Rot. Bonds10

About 1-[4-[[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[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-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone (PubChem CID 170983472) has the molecular formula C38H41Cl2N7O4 and a molecular weight of 730.70 g/mol. Its IUPAC name is 1-[4-[[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[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-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone
PubChem CID170983472
Molecular FormulaC38H41Cl2N7O4
Molecular Weight730.70 g/mol
Exact Mass729.26
IUPAC Name1-[4-[[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone
SMILESCOc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CN6CCOCC6)cn5c4)c3Cl)c2Cl)ccc1CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C38H41Cl2N7O4/c1-24(48)46-13-10-27(11-14-46)42-20-25-7-8-32(44-38(25)50-3)31-6-4-5-29(34(31)39)30-9-12-41-36(35(30)40)26-19-33(49-2)37-43-28(23-47(37)21-26)22-45-15-17-51-18-16-45/h4-9,12,19,21,23,27,42H,10-11,13-18,20,22H2,1-3H3
InChIKeyHMZIWJJTRAAOTI-UHFFFAOYSA-N
XLogP6.38
TPSA106.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.70
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[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-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[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-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone (CID 170983472) is 1-[4-[[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[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-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[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-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[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(CN6CCOCC6)cn5c4)c3Cl)c2Cl)ccc1CNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone?
The InChIKey is HMZIWJJTRAAOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41Cl2N7O4/c1-24(48)46-13-10-27(11-14-46)42-20-25-7-8-32(44-38(25)50-3)31-6-4-5-29(34(31)39)30-9-12-41-36(35(30)40)26-19-33(49-2)37-43-28(23-47(37)21-26)22-45-15-17-51-18-16-45/h4-9,12,19,21,23,27,42H,10-11,13-18,20,22H2,1-3H3.
What are the key properties of 1-[4-[[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[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-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone has a molecular weight of 730.70 g/mol, XLogP of 6.38, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 170983472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).