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

C16H17FN8O2 — CID 90448275

IUPAC2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CCNCC1
InChIInChI=1S/C16H17FN8O2/c17-9-5-21-14-12(13(18)24-25(14)7-9)15(26)23-11-6-20-8-22-16(11)27-10-1-3-19-4-2-10/h5-8,10,19H,1-4H2,(H2,18,24)(H,23,26)
InChIKeySKHSEEWGHOHKDF-UHFFFAOYSA-N
MW372.36 g/mol
LogP0.62
Rot. Bonds4

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

2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90448275) has the molecular formula C16H17FN8O2 and a molecular weight of 372.36 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90448275
Molecular FormulaC16H17FN8O2
Molecular Weight372.36 g/mol
Exact Mass372.15
IUPAC Name2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CCNCC1
InChIInChI=1S/C16H17FN8O2/c17-9-5-21-14-12(13(18)24-25(14)7-9)15(26)23-11-6-20-8-22-16(11)27-10-1-3-19-4-2-10/h5-8,10,19H,1-4H2,(H2,18,24)(H,23,26)
InChIKeySKHSEEWGHOHKDF-UHFFFAOYSA-N
XLogP0.62
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-N-[4-(1,1-dioxothian-4-yl)oxy-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199105
2-amino-6-fluoro-N-[3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90448292
2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123709930
2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199894
N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199012
N-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199013
2-amino-6-fluoro-N-[4-[1-(1-hydroxyethyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134340082
2-amino-6-fluoro-N-[4-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200157
2-amino-6-fluoro-N-[4-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200159
2-amino-6-fluoro-N-[4-(2-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199118
2-amino-6-fluoro-N-(5-methoxy-4-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90379972
2-amino-6-fluoro-N-[5-methyl-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199548

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90448275) is 2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CCNCC1.
What is the InChIKey of 2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SKHSEEWGHOHKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN8O2/c17-9-5-21-14-12(13(18)24-25(14)7-9)15(26)23-11-6-20-8-22-16(11)27-10-1-3-19-4-2-10/h5-8,10,19H,1-4H2,(H2,18,24)(H,23,26).
What are the key properties of 2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 0.62, 4 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-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90448275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).