2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one

C38H38Cl2N8O4 — CID 170697508

IUPAC2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CN6CC7(CCC(=O)N7)C6)cn5c4)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C38H38Cl2N8O4/c1-51-30-14-23(17-48-19-25(44-36(30)48)18-47-20-38(21-47)12-10-32(50)46-38)35-34(40)27(11-13-42-35)26-4-3-5-28(33(26)39)29-8-6-22(37(45-29)52-2)15-41-16-24-7-9-31(49)43-24/h3-6,8,11,13-14,17,19,24,41H,7,9-10,12,15-16,18,20-21H2,1-2H3,(H,43,49)(H,46,50)/t24-/m0/s1
InChIKeyBONYCFJVWRFANC-DEOSSOPVSA-N
MW741.68 g/mol
LogP5.28
Rot. Bonds11

About 2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one

2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 170697508) has the molecular formula C38H38Cl2N8O4 and a molecular weight of 741.68 g/mol. Its IUPAC name is 2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID170697508
Molecular FormulaC38H38Cl2N8O4
Molecular Weight741.68 g/mol
Exact Mass740.24
IUPAC Name2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CN6CC7(CCC(=O)N7)C6)cn5c4)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C38H38Cl2N8O4/c1-51-30-14-23(17-48-19-25(44-36(30)48)18-47-20-38(21-47)12-10-32(50)46-38)35-34(40)27(11-13-42-35)26-4-3-5-28(33(26)39)29-8-6-22(37(45-29)52-2)15-41-16-24-7-9-31(49)43-24/h3-6,8,11,13-14,17,19,24,41H,7,9-10,12,15-16,18,20-21H2,1-2H3,(H,43,49)(H,46,50)/t24-/m0/s1
InChIKeyBONYCFJVWRFANC-DEOSSOPVSA-N
XLogP5.28
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.68
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 170697508) is 2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is COc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CN6CC7(CCC(=O)N7)C6)cn5c4)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.
What is the InChIKey of 2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is BONYCFJVWRFANC-DEOSSOPVSA-N. The full InChI is InChI=1S/C38H38Cl2N8O4/c1-51-30-14-23(17-48-19-25(44-36(30)48)18-47-20-38(21-47)12-10-32(50)46-38)35-34(40)27(11-13-42-35)26-4-3-5-28(33(26)39)29-8-6-22(37(45-29)52-2)15-41-16-24-7-9-31(49)43-24/h3-6,8,11,13-14,17,19,24,41H,7,9-10,12,15-16,18,20-21H2,1-2H3,(H,43,49)(H,46,50)/t24-/m0/s1.
What are the key properties of 2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 741.68 g/mol, XLogP of 5.28, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 170697508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).