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

C36H40FN5O3 — CID 175664453

IUPAC4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC[C@H]1CCCN(Cc2cc3c(C4CC4)cn(-c4cc(-c5ccc(F)cc5C(=O)N5CCOCC5)cc(C5CC5)n4)c(=O)c3[nH]2)C1
InChIInChI=1S/C36H40FN5O3/c1-22-3-2-10-40(19-22)20-27-18-29-31(23-4-5-23)21-42(36(44)34(29)38-27)33-16-25(15-32(39-33)24-6-7-24)28-9-8-26(37)17-30(28)35(43)41-11-13-45-14-12-41/h8-9,15-18,21-24,38H,2-7,10-14,19-20H2,1H3/t22-/m0/s1
InChIKeyOHQAXFRAUOMKRD-QFIPXVFZSA-N
MW609.75 g/mol
LogP5.98
Rot. Bonds7

About 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(morpholine-4-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-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 175664453) 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-(morpholine-4-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-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID175664453
Molecular FormulaC36H40FN5O3
Molecular Weight609.75 g/mol
Exact Mass609.31
IUPAC Name4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC[C@H]1CCCN(Cc2cc3c(C4CC4)cn(-c4cc(-c5ccc(F)cc5C(=O)N5CCOCC5)cc(C5CC5)n4)c(=O)c3[nH]2)C1
InChIInChI=1S/C36H40FN5O3/c1-22-3-2-10-40(19-22)20-27-18-29-31(23-4-5-23)21-42(36(44)34(29)38-27)33-16-25(15-32(39-33)24-6-7-24)28-9-8-26(37)17-30(28)35(43)41-11-13-45-14-12-41/h8-9,15-18,21-24,38H,2-7,10-14,19-20H2,1H3/t22-/m0/s1
InChIKeyOHQAXFRAUOMKRD-QFIPXVFZSA-N
XLogP5.98
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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-(morpholine-4-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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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(morpholine-4-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-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 175664453) is 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(morpholine-4-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-(morpholine-4-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-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is C[C@H]1CCCN(Cc2cc3c(C4CC4)cn(-c4cc(-c5ccc(F)cc5C(=O)N5CCOCC5)cc(C5CC5)n4)c(=O)c3[nH]2)C1.
What is the InChIKey of 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is OHQAXFRAUOMKRD-QFIPXVFZSA-N. The full InChI is InChI=1S/C36H40FN5O3/c1-22-3-2-10-40(19-22)20-27-18-29-31(23-4-5-23)21-42(36(44)34(29)38-27)33-16-25(15-32(39-33)24-6-7-24)28-9-8-26(37)17-30(28)35(43)41-11-13-45-14-12-41/h8-9,15-18,21-24,38H,2-7,10-14,19-20H2,1H3/t22-/m0/s1.
What are the key properties of 4-cyclopropyl-6-[6-cyclopropyl-4-[4-fluoro-2-(morpholine-4-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-(morpholine-4-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, 7 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-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 175664453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).