N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide

C18H23FN6O — CID 166434235

IUPACN-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCc1ncc(F)c(NCC2CC3(C2)CC(NC(=O)Cc2ccn[nH]2)C3)n1
InChIInChI=1S/C18H23FN6O/c1-11-20-10-15(19)17(23-11)21-9-12-5-18(6-12)7-14(8-18)24-16(26)4-13-2-3-22-25-13/h2-3,10,12,14H,4-9H2,1H3,(H,22,25)(H,24,26)(H,20,21,23)
InChIKeyCPEXAYDNMWFXLS-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.98
Rot. Bonds6

About N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide

N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 166434235) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID166434235
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC NameN-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCc1ncc(F)c(NCC2CC3(C2)CC(NC(=O)Cc2ccn[nH]2)C3)n1
InChIInChI=1S/C18H23FN6O/c1-11-20-10-15(19)17(23-11)21-9-12-5-18(6-12)7-14(8-18)24-16(26)4-13-2-3-22-25-13/h2-3,10,12,14H,4-9H2,1H3,(H,22,25)(H,24,26)(H,20,21,23)
InChIKeyCPEXAYDNMWFXLS-UHFFFAOYSA-N
XLogP1.98
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide (CID 166434235) is N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide is Cc1ncc(F)c(NCC2CC3(C2)CC(NC(=O)Cc2ccn[nH]2)C3)n1.
What is the InChIKey of N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is CPEXAYDNMWFXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-11-20-10-15(19)17(23-11)21-9-12-5-18(6-12)7-14(8-18)24-16(26)4-13-2-3-22-25-13/h2-3,10,12,14H,4-9H2,1H3,(H,22,25)(H,24,26)(H,20,21,23).
What are the key properties of N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide?
N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(5-fluoro-2-methylpyrimidin-4-yl)amino]methyl]spiro[3.3]heptan-2-yl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 166434235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).