[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

C23H23Cl2F2N3O2 — CID 161145674

IUPAC[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C(C)(F)F)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C
InChIInChI=1S/C23H23Cl2F2N3O2/c1-13-10-19(23(2,26)27)28-21-16(13)11-14(29(21)3)12-17-18(24)5-4-15(20(17)25)22(31)30-6-8-32-9-7-30/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyLCSGTBWKTAPJKM-UHFFFAOYSA-N
MW482.36 g/mol
LogP5.36
Rot. Bonds4

About [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 161145674) has the molecular formula C23H23Cl2F2N3O2 and a molecular weight of 482.36 g/mol. Its IUPAC name is [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
PubChem CID161145674
Molecular FormulaC23H23Cl2F2N3O2
Molecular Weight482.36 g/mol
Exact Mass481.11
IUPAC Name[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C(C)(F)F)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C
InChIInChI=1S/C23H23Cl2F2N3O2/c1-13-10-19(23(2,26)27)28-21-16(13)11-14(29(21)3)12-17-18(24)5-4-15(20(17)25)22(31)30-6-8-32-9-7-30/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyLCSGTBWKTAPJKM-UHFFFAOYSA-N
XLogP5.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.36
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

US10106501, Example BJ-35
CID 124122850
US10106501, Example CZ-2
CID 124122908
US10106501, Example CZ-1
CID 124122924
US10106501, Example FJ
CID 124122983
US10106501, Example P
CID 124123088
US10106501, Example CR
CID 124123121
US10106501, Example CT
CID 124123134
US10106501, Example CT-10
CID 124123223
US10106501, Example BS
CID 124123251
US10106501, Example CA
CID 124123255
US10106501, Example FU
CID 124123271
US10106501, Example FS
CID 124123357

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (CID 161145674) is [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is Cc1cc(C(C)(F)F)nc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C.
What is the InChIKey of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is LCSGTBWKTAPJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2F2N3O2/c1-13-10-19(23(2,26)27)28-21-16(13)11-14(29(21)3)12-17-18(24)5-4-15(20(17)25)22(31)30-6-8-32-9-7-30/h4-5,10-11H,6-9,12H2,1-3H3.
What are the key properties of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 482.36 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 161145674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).