(5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

C18H24N6O2 — CID 118745655

IUPAC(5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(COCCN(c4ncccn4)C3)C2)n[nH]1
InChIInChI=1S/C18H24N6O2/c1-14-10-15(22-21-14)16(25)23-7-2-4-18(11-23)12-24(8-9-26-13-18)17-19-5-3-6-20-17/h3,5-6,10H,2,4,7-9,11-13H2,1H3,(H,21,22)
InChIKeyMKJKFCQMYUWUDY-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.27
Rot. Bonds2

About (5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

(5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (PubChem CID 118745655) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
PubChem CID118745655
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(COCCN(c4ncccn4)C3)C2)n[nH]1
InChIInChI=1S/C18H24N6O2/c1-14-10-15(22-21-14)16(25)23-7-2-4-18(11-23)12-24(8-9-26-13-18)17-19-5-3-6-20-17/h3,5-6,10H,2,4,7-9,11-13H2,1H3,(H,21,22)
InChIKeyMKJKFCQMYUWUDY-UHFFFAOYSA-N
XLogP1.27
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (CID 118745655) is (5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is Cc1cc(C(=O)N2CCCC3(COCCN(c4ncccn4)C3)C2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The InChIKey is MKJKFCQMYUWUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-14-10-15(22-21-14)16(25)23-7-2-4-18(11-23)12-24(8-9-26-13-18)17-19-5-3-6-20-17/h3,5-6,10H,2,4,7-9,11-13H2,1H3,(H,21,22).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
(5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone has a molecular weight of 356.43 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is sourced from PubChem (CID 118745655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).