3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione

C17H23F2N5O3 — CID 143016539

IUPAC3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)n(N)c(=O)c2cc(F)c(N3CCC[C@@H](O)[C@H](F)C3)nc21
InChIInChI=1S/C17H23F2N5O3/c1-3-9(2)23-14-10(16(26)24(20)17(23)27)7-11(18)15(21-14)22-6-4-5-13(25)12(19)8-22/h7,9,12-13,25H,3-6,8,20H2,1-2H3/t9?,12-,13-/m1/s1
InChIKeyKDYZKYWWRFOIFP-VFVWQQSLSA-N
MW383.40 g/mol
LogP0.68
Rot. Bonds3

About 3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione

3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 143016539) has the molecular formula C17H23F2N5O3 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID143016539
Molecular FormulaC17H23F2N5O3
Molecular Weight383.40 g/mol
Exact Mass383.18
IUPAC Name3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)n(N)c(=O)c2cc(F)c(N3CCC[C@@H](O)[C@H](F)C3)nc21
InChIInChI=1S/C17H23F2N5O3/c1-3-9(2)23-14-10(16(26)24(20)17(23)27)7-11(18)15(21-14)22-6-4-5-13(25)12(19)8-22/h7,9,12-13,25H,3-6,8,20H2,1-2H3/t9?,12-,13-/m1/s1
InChIKeyKDYZKYWWRFOIFP-VFVWQQSLSA-N
XLogP0.68
TPSA106.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile
CID 69454940
3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 143016570
3-amino-7-[(3S,4R)-3-(aminomethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 69075390
7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1,2,3-tri(propan-2-yl)-1,8-naphthyridin-4-one
CID 176762638
3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione
CID 59311165
[7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate
CID 67906903
7-[(3S,4R)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383038
1-cyclopropyl-7-[(3S,4S)-3-(ethylaminomethyl)-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70382679
3-amino-7-[(3R)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10199584
CID 163919531
CID 163919531
3-amino-7-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride
CID 69078708
7-[(3R)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 14555537

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 143016539) is 3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione is CCC(C)n1c(=O)n(N)c(=O)c2cc(F)c(N3CCC[C@@H](O)[C@H](F)C3)nc21.
What is the InChIKey of 3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KDYZKYWWRFOIFP-VFVWQQSLSA-N. The full InChI is InChI=1S/C17H23F2N5O3/c1-3-9(2)23-14-10(16(26)24(20)17(23)27)7-11(18)15(21-14)22-6-4-5-13(25)12(19)8-22/h7,9,12-13,25H,3-6,8,20H2,1-2H3/t9?,12-,13-/m1/s1.
What are the key properties of 3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 383.40 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butan-2-yl-6-fluoro-7-[(3R,4S)-3-fluoro-4-hydroxyazepan-1-yl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 143016539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).