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

C22H23FN4O4 — CID 139464277

IUPACN-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCO[C@@]1(c2cccc(-c3cn(C4(F)COC4)c4cnc(NC(C)=O)cc34)n2)CCOC1
InChIInChI=1S/C22H23FN4O4/c1-14(28)25-20-8-15-16(10-27(18(15)9-24-20)22(23)12-31-13-22)17-4-3-5-19(26-17)21(29-2)6-7-30-11-21/h3-5,8-10H,6-7,11-13H2,1-2H3,(H,24,25,28)/t21-/m0/s1
InChIKeyCKDBFZUEUUZCGK-NRFANRHFSA-N
MW426.45 g/mol
LogP2.97
Rot. Bonds5

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

N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 139464277) has the molecular formula C22H23FN4O4 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID139464277
Molecular FormulaC22H23FN4O4
Molecular Weight426.45 g/mol
Exact Mass426.17
IUPAC NameN-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCO[C@@]1(c2cccc(-c3cn(C4(F)COC4)c4cnc(NC(C)=O)cc34)n2)CCOC1
InChIInChI=1S/C22H23FN4O4/c1-14(28)25-20-8-15-16(10-27(18(15)9-24-20)22(23)12-31-13-22)17-4-3-5-19(26-17)21(29-2)6-7-30-11-21/h3-5,8-10H,6-7,11-13H2,1-2H3,(H,24,25,28)/t21-/m0/s1
InChIKeyCKDBFZUEUUZCGK-NRFANRHFSA-N
XLogP2.97
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]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
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
US20190276450, Example 2.8
CID 139464925
WO2022109580, Example 1
CID 163377510

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 139464277) is N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is CO[C@@]1(c2cccc(-c3cn(C4(F)COC4)c4cnc(NC(C)=O)cc34)n2)CCOC1.
What is the InChIKey of N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is CKDBFZUEUUZCGK-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23FN4O4/c1-14(28)25-20-8-15-16(10-27(18(15)9-24-20)22(23)12-31-13-22)17-4-3-5-19(26-17)21(29-2)6-7-30-11-21/h3-5,8-10H,6-7,11-13H2,1-2H3,(H,24,25,28)/t21-/m0/s1.
What are the key properties of N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 426.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorooxetan-3-yl)-3-[6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 139464277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).