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

C23H28N4O5 — CID 139464788

IUPACN-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOCCOc1cc(-c2cn(C)c3cnc(NC(C)=O)cc23)nc([C@]2(OC)CCOC2)c1
InChIInChI=1S/C23H28N4O5/c1-15(28)25-22-11-17-18(13-27(2)20(17)12-24-22)19-9-16(32-8-7-29-3)10-21(26-19)23(30-4)5-6-31-14-23/h9-13H,5-8,14H2,1-4H3,(H,24,25,28)/t23-/m0/s1
InChIKeyRFFXZSGAQDJMGT-QHCPKHFHSA-N
MW440.50 g/mol
LogP2.88
Rot. Bonds8

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

N-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 139464788) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID139464788
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC NameN-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOCCOc1cc(-c2cn(C)c3cnc(NC(C)=O)cc23)nc([C@]2(OC)CCOC2)c1
InChIInChI=1S/C23H28N4O5/c1-15(28)25-22-11-17-18(13-27(2)20(17)12-24-22)19-9-16(32-8-7-29-3)10-21(26-19)23(30-4)5-6-31-14-23/h9-13H,5-8,14H2,1-4H3,(H,24,25,28)/t23-/m0/s1
InChIKeyRFFXZSGAQDJMGT-QHCPKHFHSA-N
XLogP2.88
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411739
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
N-[6-[6-amino-5-(2-methoxyethoxy)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251723
N-[6-(6-amino-5-ethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251796
Tgf|ari-IN-1
CID 121411850
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 16
CID 139464855

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 139464788) is N-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is COCCOc1cc(-c2cn(C)c3cnc(NC(C)=O)cc23)nc([C@]2(OC)CCOC2)c1.
What is the InChIKey of N-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is RFFXZSGAQDJMGT-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-15(28)25-22-11-17-18(13-27(2)20(17)12-24-22)19-9-16(32-8-7-29-3)10-21(26-19)23(30-4)5-6-31-14-23/h9-13H,5-8,14H2,1-4H3,(H,24,25,28)/t23-/m0/s1.
What are the key properties of N-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 440.50 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 139464788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).