4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C36H40FN5O3 — CID 175664515

IUPAC4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOC1CN(C(=O)c2cc(F)ccc2-c2cc(C3CC3)nc(-n3cc(C4CC4)c4cc(CN5CCC[C@H](C)C5)[nH]c4c3=O)c2)C1
InChIInChI=1S/C36H40FN5O3/c1-21-4-3-11-40(16-21)17-26-15-29-31(22-5-6-22)20-42(36(44)34(29)38-26)33-13-24(12-32(39-33)23-7-8-23)28-10-9-25(37)14-30(28)35(43)41-18-27(19-41)45-2/h9-10,12-15,20-23,27,38H,3-8,11,16-19H2,1-2H3/t21-/m0/s1
InChIKeyJERQGUQVKBOKAG-NRFANRHFSA-N
MW609.75 g/mol
LogP5.98
Rot. Bonds8

About 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one

4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 175664515) has the molecular formula C36H40FN5O3 and a molecular weight of 609.75 g/mol. Its IUPAC name is 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID175664515
Molecular FormulaC36H40FN5O3
Molecular Weight609.75 g/mol
Exact Mass609.31
IUPAC Name4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOC1CN(C(=O)c2cc(F)ccc2-c2cc(C3CC3)nc(-n3cc(C4CC4)c4cc(CN5CCC[C@H](C)C5)[nH]c4c3=O)c2)C1
InChIInChI=1S/C36H40FN5O3/c1-21-4-3-11-40(16-21)17-26-15-29-31(22-5-6-22)20-42(36(44)34(29)38-26)33-13-24(12-32(39-33)23-7-8-23)28-10-9-25(37)14-30(28)35(43)41-18-27(19-41)45-2/h9-10,12-15,20-23,27,38H,3-8,11,16-19H2,1-2H3/t21-/m0/s1
InChIKeyJERQGUQVKBOKAG-NRFANRHFSA-N
XLogP5.98
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.75
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Related Compounds

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CID 172580938
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US20240425497, Example 1
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US20240425497, Example 2
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US20240425497, Example 3
CID 175664453

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 175664515) is 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is COC1CN(C(=O)c2cc(F)ccc2-c2cc(C3CC3)nc(-n3cc(C4CC4)c4cc(CN5CCC[C@H](C)C5)[nH]c4c3=O)c2)C1.
What is the InChIKey of 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is JERQGUQVKBOKAG-NRFANRHFSA-N. The full InChI is InChI=1S/C36H40FN5O3/c1-21-4-3-11-40(16-21)17-26-15-29-31(22-5-6-22)20-42(36(44)34(29)38-26)33-13-24(12-32(39-33)23-7-8-23)28-10-9-25(37)14-30(28)35(43)41-18-27(19-41)45-2/h9-10,12-15,20-23,27,38H,3-8,11,16-19H2,1-2H3/t21-/m0/s1.
What are the key properties of 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 609.75 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(3-methoxyazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 175664515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).