1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione

C15H18FN5O3 — CID 22632976

IUPAC1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN1CCN(c2nc3c(cc2F)c(=O)n(O)c(=O)n3C2CC2)CC1
InChIInChI=1S/C15H18FN5O3/c1-18-4-6-19(7-5-18)13-11(16)8-10-12(17-13)20(9-2-3-9)15(23)21(24)14(10)22/h8-9,24H,2-7H2,1H3
InChIKeyYQLBFOCPQXFRSN-UHFFFAOYSA-N
MW335.34 g/mol
LogP0.02
Rot. Bonds2

About 1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione

1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 22632976) has the molecular formula C15H18FN5O3 and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID22632976
Molecular FormulaC15H18FN5O3
Molecular Weight335.34 g/mol
Exact Mass335.14
IUPAC Name1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN1CCN(c2nc3c(cc2F)c(=O)n(O)c(=O)n3C2CC2)CC1
InChIInChI=1S/C15H18FN5O3/c1-18-4-6-19(7-5-18)13-11(16)8-10-12(17-13)20(9-2-3-9)15(23)21(24)14(10)22/h8-9,24H,2-7H2,1H3
InChIKeyYQLBFOCPQXFRSN-UHFFFAOYSA-N
XLogP0.02
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 22632976) is 1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione is CN1CCN(c2nc3c(cc2F)c(=O)n(O)c(=O)n3C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YQLBFOCPQXFRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3/c1-18-4-6-19(7-5-18)13-11(16)8-10-12(17-13)20(9-2-3-9)15(23)21(24)14(10)22/h8-9,24H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 335.34 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 22632976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).