[2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C25H23FN4O3 — CID 143384201

IUPAC[2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1ccc(OCc2ccc(N3CCOCC3)nc2)c(F)c1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C25H23FN4O3/c1-16-4-6-20(33-15-17-5-7-21(28-13-17)30-9-11-32-12-10-30)23(26)22(16)24(31)19-14-29-25-18(19)3-2-8-27-25/h2-8,13-14H,9-12,15H2,1H3,(H,27,29)
InChIKeyNTBBPPRUCTVTLP-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.05
Rot. Bonds6

About [2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 143384201) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is [2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID143384201
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name[2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1ccc(OCc2ccc(N3CCOCC3)nc2)c(F)c1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C25H23FN4O3/c1-16-4-6-20(33-15-17-5-7-21(28-13-17)30-9-11-32-12-10-30)23(26)22(16)24(31)19-14-29-25-18(19)3-2-8-27-25/h2-8,13-14H,9-12,15H2,1H3,(H,27,29)
InChIKeyNTBBPPRUCTVTLP-UHFFFAOYSA-N
XLogP4.05
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 143384201) is [2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Cc1ccc(OCc2ccc(N3CCOCC3)nc2)c(F)c1C(=O)c1c[nH]c2ncccc12.
What is the InChIKey of [2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is NTBBPPRUCTVTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-16-4-6-20(33-15-17-5-7-21(28-13-17)30-9-11-32-12-10-30)23(26)22(16)24(31)19-14-29-25-18(19)3-2-8-27-25/h2-8,13-14H,9-12,15H2,1H3,(H,27,29).
What are the key properties of [2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 446.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 143384201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).