2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide

C18H20F2N7O3P — CID 170002121

IUPAC2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(F)(C(=O)N3OCCC3c3cnccn3)C(F)(P)C2)n1
InChIInChI=1S/C18H20F2N7O3P/c19-17(15(29)27-13(2-8-30-27)12-9-22-5-6-23-12)3-7-26(10-18(17,20)31)16-24-4-1-11(25-16)14(21)28/h1,4-6,9,13H,2-3,7-8,10,31H2,(H2,21,28)
InChIKeyKBXJTSFRNIFSMX-UHFFFAOYSA-N
MW451.37 g/mol
LogP0.73
Rot. Bonds4

About 2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide

2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 170002121) has the molecular formula C18H20F2N7O3P and a molecular weight of 451.37 g/mol. Its IUPAC name is 2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID170002121
Molecular FormulaC18H20F2N7O3P
Molecular Weight451.37 g/mol
Exact Mass451.13
IUPAC Name2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(F)(C(=O)N3OCCC3c3cnccn3)C(F)(P)C2)n1
InChIInChI=1S/C18H20F2N7O3P/c19-17(15(29)27-13(2-8-30-27)12-9-22-5-6-23-12)3-7-26(10-18(17,20)31)16-24-4-1-11(25-16)14(21)28/h1,4-6,9,13H,2-3,7-8,10,31H2,(H2,21,28)
InChIKeyKBXJTSFRNIFSMX-UHFFFAOYSA-N
XLogP0.73
TPSA127.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 170002121) is 2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide is NC(=O)c1ccnc(N2CCC(F)(C(=O)N3OCCC3c3cnccn3)C(F)(P)C2)n1.
What is the InChIKey of 2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is KBXJTSFRNIFSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N7O3P/c19-17(15(29)27-13(2-8-30-27)12-9-22-5-6-23-12)3-7-26(10-18(17,20)31)16-24-4-1-11(25-16)14(21)28/h1,4-6,9,13H,2-3,7-8,10,31H2,(H2,21,28).
What are the key properties of 2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide?
2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 451.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-difluoro-3-phosphanyl-4-(3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 170002121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).