7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

C26H29FN4O3 — CID 112843664

IUPAC7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(Cc4cccc(F)c4)CC3)cc(C3CC3)nc21
InChIInChI=1S/C26H29FN4O3/c1-2-10-31-23-22(24(32)29-26(31)34)20(15-21(28-23)18-6-7-18)25(33)30-11-8-16(9-12-30)13-17-4-3-5-19(27)14-17/h3-5,14-16,18H,2,6-13H2,1H3,(H,29,32,34)
InChIKeyWDJOAPFBLVCSBK-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.61
Rot. Bonds6

About 7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 112843664) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID112843664
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(Cc4cccc(F)c4)CC3)cc(C3CC3)nc21
InChIInChI=1S/C26H29FN4O3/c1-2-10-31-23-22(24(32)29-26(31)34)20(15-21(28-23)18-6-7-18)25(33)30-11-8-16(9-12-30)13-17-4-3-5-19(27)14-17/h3-5,14-16,18H,2,6-13H2,1H3,(H,29,32,34)
InChIKeyWDJOAPFBLVCSBK-UHFFFAOYSA-N
XLogP3.61
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (CID 112843664) is 7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(Cc4cccc(F)c4)CC3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WDJOAPFBLVCSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-2-10-31-23-22(24(32)29-26(31)34)20(15-21(28-23)18-6-7-18)25(33)30-11-8-16(9-12-30)13-17-4-3-5-19(27)14-17/h3-5,14-16,18H,2,6-13H2,1H3,(H,29,32,34).
What are the key properties of 7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 464.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 112843664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).