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

C24H28N4O5 — CID 139464910

IUPACN-[3-[4-(methoxymethyl)-6-[(3R)-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([C@]2(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)/t24-/m0/s1
InChIKeyGTXKSTKFOCDTPI-DEOSSOPVSA-N
MW452.51 g/mol
LogP3.04
Rot. Bonds7

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

N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 139464910) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[3-[4-(methoxymethyl)-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-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID139464910
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-[3-[4-(methoxymethyl)-6-[(3R)-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([C@]2(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)/t24-/m0/s1
InChIKeyGTXKSTKFOCDTPI-DEOSSOPVSA-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

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

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Related Compounds

N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
CID 139464692
US20190276450, Example 14.4
CID 139464285
US20190276450, Example 7
CID 139464452
US20190276450, Example 5
CID 139464503
US20190276450, Example 6.3
CID 139464615
US20190276450, Example 2a.3
CID 139464718
US20190276450, Example 22.2
CID 139464759
US20190276450, Example 25
CID 139464788
US20190276450, Example 16
CID 139464855
US20190276450, Example 2.8
CID 139464925
WO2022109580, Example 1
CID 163377510
US20190276450, Example 16a
CID 139464814

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methoxymethyl)-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-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 139464910) is N-[3-[4-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-6-[(3R)-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([C@]2(OC)CCOC2)c1.
What is the InChIKey of N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is GTXKSTKFOCDTPI-DEOSSOPVSA-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)/t24-/m0/s1.
What are the key properties of N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[4-(methoxymethyl)-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 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-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 139464910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).