1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one

C24H27N3O5 — CID 159299032

IUPAC1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one
SMILESCOc1cc(-c2cn(C3COC3)c3cnc(CC(C)=O)cc23)nc([C@@]2(OC)CCOC2)c1
InChIInChI=1S/C24H27N3O5/c1-15(28)6-16-7-19-20(11-27(17-12-32-13-17)22(19)10-25-16)21-8-18(29-2)9-23(26-21)24(30-3)4-5-31-14-24/h7-11,17H,4-6,12-14H2,1-3H3/t24-/m1/s1
InChIKeyUAKZLEZPLHDFCJ-XMMPIXPASA-N
MW437.50 g/mol
LogP3.07
Rot. Bonds7

About 1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one

1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one (PubChem CID 159299032) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one
PubChem CID159299032
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one
SMILESCOc1cc(-c2cn(C3COC3)c3cnc(CC(C)=O)cc23)nc([C@@]2(OC)CCOC2)c1
InChIInChI=1S/C24H27N3O5/c1-15(28)6-16-7-19-20(11-27(17-12-32-13-17)22(19)10-25-16)21-8-18(29-2)9-23(26-21)24(30-3)4-5-31-14-24/h7-11,17H,4-6,12-14H2,1-3H3/t24-/m1/s1
InChIKeyUAKZLEZPLHDFCJ-XMMPIXPASA-N
XLogP3.07
TPSA84.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one?
The IUPAC name of 1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one (CID 159299032) is 1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one.
What is the SMILES notation for 1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one?
The canonical SMILES for 1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one is COc1cc(-c2cn(C3COC3)c3cnc(CC(C)=O)cc23)nc([C@@]2(OC)CCOC2)c1.
What is the InChIKey of 1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one?
The InChIKey is UAKZLEZPLHDFCJ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N3O5/c1-15(28)6-16-7-19-20(11-27(17-12-32-13-17)22(19)10-25-16)21-8-18(29-2)9-23(26-21)24(30-3)4-5-31-14-24/h7-11,17H,4-6,12-14H2,1-3H3/t24-/m1/s1.
What are the key properties of 1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one?
1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one has a molecular weight of 437.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-methoxy-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]propan-2-one is sourced from PubChem (CID 159299032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).