2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H38FN7O3 — CID 129133724

IUPAC2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN1CC(F)Cn2nc(N)c(C(=O)NC3CNCCC3OC3CCN(C4COC4)CC3)c21
InChIInChI=1S/C23H38FN7O3/c1-2-7-30-11-15(24)12-31-23(30)20(21(25)28-31)22(32)27-18-10-26-6-3-19(18)34-17-4-8-29(9-5-17)16-13-33-14-16/h15-19,26H,2-14H2,1H3,(H2,25,28)(H,27,32)
InChIKeyWIUPDRMMTFVYMU-UHFFFAOYSA-N
MW479.60 g/mol
LogP0.37
Rot. Bonds7

About 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129133724) has the molecular formula C23H38FN7O3 and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129133724
Molecular FormulaC23H38FN7O3
Molecular Weight479.60 g/mol
Exact Mass479.30
IUPAC Name2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN1CC(F)Cn2nc(N)c(C(=O)NC3CNCCC3OC3CCN(C4COC4)CC3)c21
InChIInChI=1S/C23H38FN7O3/c1-2-7-30-11-15(24)12-31-23(30)20(21(25)28-31)22(32)27-18-10-26-6-3-19(18)34-17-4-8-29(9-5-17)16-13-33-14-16/h15-19,26H,2-14H2,1H3,(H2,25,28)(H,27,32)
InChIKeyWIUPDRMMTFVYMU-UHFFFAOYSA-N
XLogP0.37
TPSA109.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129133724) is 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCN1CC(F)Cn2nc(N)c(C(=O)NC3CNCCC3OC3CCN(C4COC4)CC3)c21.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WIUPDRMMTFVYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38FN7O3/c1-2-7-30-11-15(24)12-31-23(30)20(21(25)28-31)22(32)27-18-10-26-6-3-19(18)34-17-4-8-29(9-5-17)16-13-33-14-16/h15-19,26H,2-14H2,1H3,(H2,25,28)(H,27,32).
What are the key properties of 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-4-propyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129133724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).