(3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine

C19H22FN7O — CID 169429008

IUPAC(3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cccnc2F)n2ncc(C3CCNN3)c2n1
InChIInChI=1S/C19H22FN7O/c1-12-11-28-8-7-26(12)17-9-16(13-3-2-5-21-18(13)20)27-19(24-17)14(10-23-27)15-4-6-22-25-15/h2-3,5,9-10,12,15,22,25H,4,6-8,11H2,1H3/t12-,15?/m1/s1
InChIKeyDPAZOQSBGHZKAH-KEKZHRQWSA-N
MW383.43 g/mol
LogP1.69
Rot. Bonds3

About (3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine

(3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (PubChem CID 169429008) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is (3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
PubChem CID169429008
Molecular FormulaC19H22FN7O
Molecular Weight383.43 g/mol
Exact Mass383.19
IUPAC Name(3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cccnc2F)n2ncc(C3CCNN3)c2n1
InChIInChI=1S/C19H22FN7O/c1-12-11-28-8-7-26(12)17-9-16(13-3-2-5-21-18(13)20)27-19(24-17)14(10-23-27)15-4-6-22-25-15/h2-3,5,9-10,12,15,22,25H,4,6-8,11H2,1H3/t12-,15?/m1/s1
InChIKeyDPAZOQSBGHZKAH-KEKZHRQWSA-N
XLogP1.69
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine 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 (3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (CID 169429008) is (3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2cccnc2F)n2ncc(C3CCNN3)c2n1.
What is the InChIKey of (3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The InChIKey is DPAZOQSBGHZKAH-KEKZHRQWSA-N. The full InChI is InChI=1S/C19H22FN7O/c1-12-11-28-8-7-26(12)17-9-16(13-3-2-5-21-18(13)20)27-19(24-17)14(10-23-27)15-4-6-22-25-15/h2-3,5,9-10,12,15,22,25H,4,6-8,11H2,1H3/t12-,15?/m1/s1.
What are the key properties of (3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
(3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine has a molecular weight of 383.43 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[7-(2-fluoro-3-pyridinyl)-3-pyrazolidin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 169429008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).