N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide

C23H26N4O5 — CID 139464503

IUPACN-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOc1cc(-c2cn(C3COC3)c3cnc(NC(C)=O)cc23)nc([C@]2(OC)CCOC2)c1
InChIInChI=1S/C23H26N4O5/c1-14(28)25-22-8-17-18(10-27(15-11-32-12-15)20(17)9-24-22)19-6-16(29-2)7-21(26-19)23(30-3)4-5-31-13-23/h6-10,15H,4-5,11-13H2,1-3H3,(H,24,25,28)/t23-/m0/s1
InChIKeyNYSXBAULYGNGFX-QHCPKHFHSA-N
MW438.48 g/mol
LogP2.90
Rot. Bonds6

About N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 139464503) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID139464503
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOc1cc(-c2cn(C3COC3)c3cnc(NC(C)=O)cc23)nc([C@]2(OC)CCOC2)c1
InChIInChI=1S/C23H26N4O5/c1-14(28)25-22-8-17-18(10-27(15-11-32-12-15)20(17)9-24-22)19-6-16(29-2)7-21(26-19)23(30-3)4-5-31-13-23/h6-10,15H,4-5,11-13H2,1-3H3,(H,24,25,28)/t23-/m0/s1
InChIKeyNYSXBAULYGNGFX-QHCPKHFHSA-N
XLogP2.90
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 139464503) is N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide is COc1cc(-c2cn(C3COC3)c3cnc(NC(C)=O)cc23)nc([C@]2(OC)CCOC2)c1.
What is the InChIKey of N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is NYSXBAULYGNGFX-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-14(28)25-22-8-17-18(10-27(15-11-32-12-15)20(17)9-24-22)19-6-16(29-2)7-21(26-19)23(30-3)4-5-31-13-23/h6-10,15H,4-5,11-13H2,1-3H3,(H,24,25,28)/t23-/m0/s1.
What are the key properties of N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 438.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methoxy-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 139464503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).