5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

C23H24FN5O3 — CID 30836245

IUPAC5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc21
InChIInChI=1S/C23H24FN5O3/c1-26-20-19(22(31)29(23(26)32)14-15-2-6-17(24)7-3-15)18(8-9-25-20)27-10-12-28(13-11-27)21(30)16-4-5-16/h2-3,6-9,16H,4-5,10-14H2,1H3
InChIKeyUMOAQLWRHAPLAY-UHFFFAOYSA-N
MW437.48 g/mol
LogP1.34
Rot. Bonds4

About 5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 30836245) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID30836245
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc21
InChIInChI=1S/C23H24FN5O3/c1-26-20-19(22(31)29(23(26)32)14-15-2-6-17(24)7-3-15)18(8-9-25-20)27-10-12-28(13-11-27)21(30)16-4-5-16/h2-3,6-9,16H,4-5,10-14H2,1H3
InChIKeyUMOAQLWRHAPLAY-UHFFFAOYSA-N
XLogP1.34
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 30836245) is 5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc21.
What is the InChIKey of 5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UMOAQLWRHAPLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-26-20-19(22(31)29(23(26)32)14-15-2-6-17(24)7-3-15)18(8-9-25-20)27-10-12-28(13-11-27)21(30)16-4-5-16/h2-3,6-9,16H,4-5,10-14H2,1H3.
What are the key properties of 5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 437.48 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 30836245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).