3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

C17H22FN5O4 — CID 143016570

IUPAC3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESNn1c(=O)c2cc(F)c(N3CC(CO)C[C@@H](CO)C3)nc2n(C2CC2)c1=O
InChIInChI=1S/C17H22FN5O4/c18-13-4-12-14(22(11-1-2-11)17(27)23(19)16(12)26)20-15(13)21-5-9(7-24)3-10(6-21)8-25/h4,9-11,24-25H,1-3,5-8,19H2/t9-,10?/m1/s1
InChIKeyHUZVMKCQFHTBLR-YHMJZVADSA-N
MW379.39 g/mol
LogP-0.83
Rot. Bonds4

About 3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 143016570) has the molecular formula C17H22FN5O4 and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID143016570
Molecular FormulaC17H22FN5O4
Molecular Weight379.39 g/mol
Exact Mass379.17
IUPAC Name3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESNn1c(=O)c2cc(F)c(N3CC(CO)C[C@@H](CO)C3)nc2n(C2CC2)c1=O
InChIInChI=1S/C17H22FN5O4/c18-13-4-12-14(22(11-1-2-11)17(27)23(19)16(12)26)20-15(13)21-5-9(7-24)3-10(6-21)8-25/h4,9-11,24-25H,1-3,5-8,19H2/t9-,10?/m1/s1
InChIKeyHUZVMKCQFHTBLR-YHMJZVADSA-N
XLogP-0.83
TPSA126.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

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
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
1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 22632976
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 59074242
3-amino-1-cyclopropyl-6-fluoro-7-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-8-methoxyquinazoline-2,4-dione
CID 11417586
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
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione
CID 22632892
3-amino-7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoroquinazoline-2,4-dione
CID 20792067
3-amino-7-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10271056
acetonitrile;3-amino-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-8-methylquinazoline-2,4-dione
CID 143050424
3-amino-8-chloro-1-cyclopropyl-7-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-fluoroquinazoline-2,4-dione
CID 11153221
7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 21294379

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (CID 143016570) is 3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is Nn1c(=O)c2cc(F)c(N3CC(CO)C[C@@H](CO)C3)nc2n(C2CC2)c1=O.
What is the InChIKey of 3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HUZVMKCQFHTBLR-YHMJZVADSA-N. The full InChI is InChI=1S/C17H22FN5O4/c18-13-4-12-14(22(11-1-2-11)17(27)23(19)16(12)26)20-15(13)21-5-9(7-24)3-10(6-21)8-25/h4,9-11,24-25H,1-3,5-8,19H2/t9-,10?/m1/s1.
What are the key properties of 3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 379.39 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-[(5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 143016570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).