7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one

C25H28FN5O2 — CID 11662364

IUPAC7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2N1
InChIInChI=1S/C25H28FN5O2/c26-20-8-6-18-4-3-5-22(21(18)16-20)31-13-11-30(12-14-31)10-1-2-15-33-23-9-7-19-17-27-25(32)29-24(19)28-23/h3-9,16H,1-2,10-15,17H2,(H2,27,28,29,32)
InChIKeyLJHCRANIWOZXON-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.99
Rot. Bonds7

About 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one

7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 11662364) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID11662364
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Name7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2N1
InChIInChI=1S/C25H28FN5O2/c26-20-8-6-18-4-3-5-22(21(18)16-20)31-13-11-30(12-14-31)10-1-2-15-33-23-9-7-19-17-27-25(32)29-24(19)28-23/h3-9,16H,1-2,10-15,17H2,(H2,27,28,29,32)
InChIKeyLJHCRANIWOZXON-UHFFFAOYSA-N
XLogP3.99
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one (CID 11662364) is 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one is O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2N1.
What is the InChIKey of 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is LJHCRANIWOZXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c26-20-8-6-18-4-3-5-22(21(18)16-20)31-13-11-30(12-14-31)10-1-2-15-33-23-9-7-19-17-27-25(32)29-24(19)28-23/h3-9,16H,1-2,10-15,17H2,(H2,27,28,29,32).
What are the key properties of 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 449.53 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 11662364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).