2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20F2N8O2 — CID 90198991

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCN(C2COC2)CC1
InChIInChI=1S/C19H20F2N8O2/c20-11-5-24-18-15(17(22)26-29(18)8-11)19(30)25-14-7-23-6-13(21)16(14)28-3-1-27(2-4-28)12-9-31-10-12/h5-8,12H,1-4,9-10H2,(H2,22,26)(H,25,30)
InChIKeyQXUPKSMOTFIYQY-UHFFFAOYSA-N
MW430.42 g/mol
LogP0.76
Rot. Bonds4

About 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90198991) has the molecular formula C19H20F2N8O2 and a molecular weight of 430.42 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90198991
Molecular FormulaC19H20F2N8O2
Molecular Weight430.42 g/mol
Exact Mass430.17
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCN(C2COC2)CC1
InChIInChI=1S/C19H20F2N8O2/c20-11-5-24-18-15(17(22)26-29(18)8-11)19(30)25-14-7-23-6-13(21)16(14)28-3-1-27(2-4-28)12-9-31-10-12/h5-8,12H,1-4,9-10H2,(H2,22,26)(H,25,30)
InChIKeyQXUPKSMOTFIYQY-UHFFFAOYSA-N
XLogP0.76
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-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-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90198991) is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCN(C2COC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QXUPKSMOTFIYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N8O2/c20-11-5-24-18-15(17(22)26-29(18)8-11)19(30)25-14-7-23-6-13(21)16(14)28-3-1-27(2-4-28)12-9-31-10-12/h5-8,12H,1-4,9-10H2,(H2,22,26)(H,25,30).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 430.42 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90198991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).