N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide

C17H22FN7O — CID 118769143

IUPACN-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESCNc1nc(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)ncc1F
InChIInChI=1S/C17H22FN7O/c1-19-15-14(18)9-21-17(22-15)24-5-6-25-13(10-24)7-12(23-25)8-20-16(26)11-3-2-4-11/h7,9,11H,2-6,8,10H2,1H3,(H,20,26)(H,19,21,22)
InChIKeyUYXVOPJIOGVART-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.29
Rot. Bonds5

About N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 118769143) has the molecular formula C17H22FN7O and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID118769143
Molecular FormulaC17H22FN7O
Molecular Weight359.41 g/mol
Exact Mass359.19
IUPAC NameN-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESCNc1nc(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)ncc1F
InChIInChI=1S/C17H22FN7O/c1-19-15-14(18)9-21-17(22-15)24-5-6-25-13(10-24)7-12(23-25)8-20-16(26)11-3-2-4-11/h7,9,11H,2-6,8,10H2,1H3,(H,20,26)(H,19,21,22)
InChIKeyUYXVOPJIOGVART-UHFFFAOYSA-N
XLogP1.29
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (CID 118769143) is N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is CNc1nc(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)ncc1F.
What is the InChIKey of N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is UYXVOPJIOGVART-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN7O/c1-19-15-14(18)9-21-17(22-15)24-5-6-25-13(10-24)7-12(23-25)8-20-16(26)11-3-2-4-11/h7,9,11H,2-6,8,10H2,1H3,(H,20,26)(H,19,21,22).
What are the key properties of N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 118769143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).