5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one

C34H35Cl2N7O4 — CID 170233606

IUPAC5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
SMILESCOc1nc(-c2cccc(-c3cccc(-c4cnc(CN5C6COCC5C6)c(OC)n4)c3Cl)c2Cl)cnc1CNCC1CCC(=O)N1
InChIInChI=1S/C34H35Cl2N7O4/c1-45-33-28(13-37-12-19-9-10-30(44)40-19)38-14-26(41-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-15-39-29(34(42-27)46-2)16-43-20-11-21(43)18-47-17-20/h3-8,14-15,19-21,37H,9-13,16-18H2,1-2H3,(H,40,44)
InChIKeyVIDOMRFXARIWAP-UHFFFAOYSA-N
MW676.61 g/mol
LogP4.93
Rot. Bonds11

About 5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one

5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one (PubChem CID 170233606) has the molecular formula C34H35Cl2N7O4 and a molecular weight of 676.61 g/mol. Its IUPAC name is 5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
PubChem CID170233606
Molecular FormulaC34H35Cl2N7O4
Molecular Weight676.61 g/mol
Exact Mass675.21
IUPAC Name5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
SMILESCOc1nc(-c2cccc(-c3cccc(-c4cnc(CN5C6COCC5C6)c(OC)n4)c3Cl)c2Cl)cnc1CNCC1CCC(=O)N1
InChIInChI=1S/C34H35Cl2N7O4/c1-45-33-28(13-37-12-19-9-10-30(44)40-19)38-14-26(41-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-15-39-29(34(42-27)46-2)16-43-20-11-21(43)18-47-17-20/h3-8,14-15,19-21,37H,9-13,16-18H2,1-2H3,(H,40,44)
InChIKeyVIDOMRFXARIWAP-UHFFFAOYSA-N
XLogP4.93
TPSA123.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.61
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[[[5-[3-[3-[5-(azetidin-1-ylmethyl)-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170232703
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[5-[(cyclopentylmethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170232090
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[5-[[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 139457642
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(3S,4R)-3-methyloxan-4-yl]amino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 139430058
5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170233206
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[5-[[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 139430223
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[5-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 139457800
2-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]-N-methylacetamide
CID 139430386
4-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]piperazin-2-one
CID 139429431
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[5-[[(3R,5R)-3-fluoro-5-hydroxypiperidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 139457826
8-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 170232176
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(3-methoxycyclobutyl)amino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 139429473

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one (CID 170233606) is 5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4cnc(CN5C6COCC5C6)c(OC)n4)c3Cl)c2Cl)cnc1CNCC1CCC(=O)N1.
What is the InChIKey of 5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one?
The InChIKey is VIDOMRFXARIWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35Cl2N7O4/c1-45-33-28(13-37-12-19-9-10-30(44)40-19)38-14-26(41-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-15-39-29(34(42-27)46-2)16-43-20-11-21(43)18-47-17-20/h3-8,14-15,19-21,37H,9-13,16-18H2,1-2H3,(H,40,44).
What are the key properties of 5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one?
5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one has a molecular weight of 676.61 g/mol, XLogP of 4.93, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 170233606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).