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

C24H28N4O5 — CID 139464914

IUPACN-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOCc1cc(-c2cn(C3COC3)c3cnc(NC(C)=O)cc23)nc(C2(OC)CCOC2)c1
InChIInChI=1S/C24H28N4O5/c1-15(29)26-23-8-18-19(10-28(17-12-33-13-17)21(18)9-25-23)20-6-16(11-30-2)7-22(27-20)24(31-3)4-5-32-14-24/h6-10,17H,4-5,11-14H2,1-3H3,(H,25,26,29)
InChIKeyGTXKSTKFOCDTPI-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.04
Rot. Bonds7

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

N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 139464914) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID139464914
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOCc1cc(-c2cn(C3COC3)c3cnc(NC(C)=O)cc23)nc(C2(OC)CCOC2)c1
InChIInChI=1S/C24H28N4O5/c1-15(29)26-23-8-18-19(10-28(17-12-33-13-17)21(18)9-25-23)20-6-16(11-30-2)7-22(27-20)24(31-3)4-5-32-14-24/h6-10,17H,4-5,11-14H2,1-3H3,(H,25,26,29)
InChIKeyGTXKSTKFOCDTPI-UHFFFAOYSA-N
XLogP3.04
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methoxymethyl)-6-(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-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 139464914) is N-[3-[4-(methoxymethyl)-6-(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-(methoxymethyl)-6-(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-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide is COCc1cc(-c2cn(C3COC3)c3cnc(NC(C)=O)cc23)nc(C2(OC)CCOC2)c1.
What is the InChIKey of N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is GTXKSTKFOCDTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-15(29)26-23-8-18-19(10-28(17-12-33-13-17)21(18)9-25-23)20-6-16(11-30-2)7-22(27-20)24(31-3)4-5-32-14-24/h6-10,17H,4-5,11-14H2,1-3H3,(H,25,26,29).
What are the key properties of N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 452.51 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 139464914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).