(7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one

C19H20F2N6O — CID 138646408

IUPAC(7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one
SMILESO=C1CCCC[C@H](Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)CCN1
InChIInChI=1S/C19H20F2N6O/c20-11-7-13-14(9-24-17(13)23-8-11)18-25-10-15(21)19(27-18)26-12-3-1-2-4-16(28)22-6-5-12/h7-10,12H,1-6H2,(H,22,28)(H,23,24)(H,25,26,27)/t12-/m0/s1
InChIKeyDUTMKZYWQUGOJJ-LBPRGKRZSA-N
MW386.41 g/mol
LogP3.16
Rot. Bonds3

About (7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one

(7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one (PubChem CID 138646408) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is (7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one.

Molecular Properties

Compound Name(7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one
PubChem CID138646408
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name(7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one
SMILESO=C1CCCC[C@H](Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)CCN1
InChIInChI=1S/C19H20F2N6O/c20-11-7-13-14(9-24-17(13)23-8-11)18-25-10-15(21)19(27-18)26-12-3-1-2-4-16(28)22-6-5-12/h7-10,12H,1-6H2,(H,22,28)(H,23,24)(H,25,26,27)/t12-/m0/s1
InChIKeyDUTMKZYWQUGOJJ-LBPRGKRZSA-N
XLogP3.16
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one?
The IUPAC name of (7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one (CID 138646408) is (7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one.
What is the SMILES notation for (7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one?
The canonical SMILES for (7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one is O=C1CCCC[C@H](Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)CCN1.
What is the InChIKey of (7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one?
The InChIKey is DUTMKZYWQUGOJJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20F2N6O/c20-11-7-13-14(9-24-17(13)23-8-11)18-25-10-15(21)19(27-18)26-12-3-1-2-4-16(28)22-6-5-12/h7-10,12H,1-6H2,(H,22,28)(H,23,24)(H,25,26,27)/t12-/m0/s1.
What are the key properties of (7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one?
(7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one has a molecular weight of 386.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one is sourced from PubChem (CID 138646408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).