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

C20H23FN8O2 — CID 90199054

IUPAC2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1N1CCN(C2COC2)CC1
InChIInChI=1S/C20H23FN8O2/c1-12-6-23-8-15(17(12)28-4-2-27(3-5-28)14-10-31-11-14)25-20(30)16-18(22)26-29-9-13(21)7-24-19(16)29/h6-9,14H,2-5,10-11H2,1H3,(H2,22,26)(H,25,30)
InChIKeyOCYLOEYTKNCMFG-UHFFFAOYSA-N
MW426.46 g/mol
LogP0.93
Rot. Bonds4

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

2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199054) has the molecular formula C20H23FN8O2 and a molecular weight of 426.46 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-methyl-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-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199054
Molecular FormulaC20H23FN8O2
Molecular Weight426.46 g/mol
Exact Mass426.19
IUPAC Name2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1N1CCN(C2COC2)CC1
InChIInChI=1S/C20H23FN8O2/c1-12-6-23-8-15(17(12)28-4-2-27(3-5-28)14-10-31-11-14)25-20(30)16-18(22)26-29-9-13(21)7-24-19(16)29/h6-9,14H,2-5,10-11H2,1H3,(H2,22,26)(H,25,30)
InChIKeyOCYLOEYTKNCMFG-UHFFFAOYSA-N
XLogP0.93
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-methyl-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-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199054) is 2-amino-6-fluoro-N-[5-methyl-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-methyl-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-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1N1CCN(C2COC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OCYLOEYTKNCMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8O2/c1-12-6-23-8-15(17(12)28-4-2-27(3-5-28)14-10-31-11-14)25-20(30)16-18(22)26-29-9-13(21)7-24-19(16)29/h6-9,14H,2-5,10-11H2,1H3,(H2,22,26)(H,25,30).
What are the key properties of 2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 0.93, 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-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).