N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide

C21H30N6O2 — CID 166285685

IUPACN-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide
SMILESCc1ncc(CN2CC(CC(=O)NCCc3cc(C)[nH]n3)OCC23CCC3)cn1
InChIInChI=1S/C21H30N6O2/c1-15-8-18(26-25-15)4-7-22-20(28)9-19-13-27(21(14-29-19)5-3-6-21)12-17-10-23-16(2)24-11-17/h8,10-11,19H,3-7,9,12-14H2,1-2H3,(H,22,28)(H,25,26)
InChIKeyKYOKRRRTWILGOZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.69
Rot. Bonds7

About N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide

N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide (PubChem CID 166285685) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide
PubChem CID166285685
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide
SMILESCc1ncc(CN2CC(CC(=O)NCCc3cc(C)[nH]n3)OCC23CCC3)cn1
InChIInChI=1S/C21H30N6O2/c1-15-8-18(26-25-15)4-7-22-20(28)9-19-13-27(21(14-29-19)5-3-6-21)12-17-10-23-16(2)24-11-17/h8,10-11,19H,3-7,9,12-14H2,1-2H3,(H,22,28)(H,25,26)
InChIKeyKYOKRRRTWILGOZ-UHFFFAOYSA-N
XLogP1.69
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide?
The IUPAC name of N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide (CID 166285685) is N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide.
What is the SMILES notation for N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide?
The canonical SMILES for N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide is Cc1ncc(CN2CC(CC(=O)NCCc3cc(C)[nH]n3)OCC23CCC3)cn1.
What is the InChIKey of N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide?
The InChIKey is KYOKRRRTWILGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-15-8-18(26-25-15)4-7-22-20(28)9-19-13-27(21(14-29-19)5-3-6-21)12-17-10-23-16(2)24-11-17/h8,10-11,19H,3-7,9,12-14H2,1-2H3,(H,22,28)(H,25,26).
What are the key properties of N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide?
N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-2-[5-[(2-methylpyrimidin-5-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide is sourced from PubChem (CID 166285685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).