2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H23FN8O2 — CID 85471495

IUPAC2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1
InChIInChI=1S/C19H23FN8O2/c1-27(2)12-3-5-13(6-4-12)30-19-14(8-22-10-24-19)25-18(29)15-16(21)26-28-9-11(20)7-23-17(15)28/h7-10,12-13H,3-6H2,1-2H3,(H2,21,26)(H,25,29)
InChIKeyXPSFWCNRJPNBBV-UHFFFAOYSA-N
MW414.45 g/mol
LogP1.74
Rot. Bonds5

About 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85471495) has the molecular formula C19H23FN8O2 and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85471495
Molecular FormulaC19H23FN8O2
Molecular Weight414.45 g/mol
Exact Mass414.19
IUPAC Name2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1
InChIInChI=1S/C19H23FN8O2/c1-27(2)12-3-5-13(6-4-12)30-19-14(8-22-10-24-19)25-18(29)15-16(21)26-28-9-11(20)7-23-17(15)28/h7-10,12-13H,3-6H2,1-2H3,(H2,21,26)(H,25,29)
InChIKeyXPSFWCNRJPNBBV-UHFFFAOYSA-N
XLogP1.74
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471491
2-amino-6-fluoro-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471493
2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471494
2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471496
2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471631
2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471632
2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471636
(R)-2-amino-6-fluoro-N-(4-((1-methylpiperidin-3-yl)oxy)pyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85473432
2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85473433
2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85473434
2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85473435
2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85473436

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85471495) is 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C1CCC(Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.
What is the InChIKey of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XPSFWCNRJPNBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN8O2/c1-27(2)12-3-5-13(6-4-12)30-19-14(8-22-10-24-19)25-18(29)15-16(21)26-28-9-11(20)7-23-17(15)28/h7-10,12-13H,3-6H2,1-2H3,(H2,21,26)(H,25,29).
What are the key properties of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85471495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).