(1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone

C19H26N6O2 — CID 91910577

IUPAC(1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCCn1cc(C(=O)N2CCC3(CC2)CN(c2ccncn2)CC3CO)cn1
InChIInChI=1S/C19H26N6O2/c1-2-25-10-15(9-22-25)18(27)23-7-4-19(5-8-23)13-24(11-16(19)12-26)17-3-6-20-14-21-17/h3,6,9-10,14,16,26H,2,4-5,7-8,11-13H2,1H3
InChIKeyNJZIESCTKLHBBM-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.04
Rot. Bonds4

About (1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone

(1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 91910577) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID91910577
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCCn1cc(C(=O)N2CCC3(CC2)CN(c2ccncn2)CC3CO)cn1
InChIInChI=1S/C19H26N6O2/c1-2-25-10-15(9-22-25)18(27)23-7-4-19(5-8-23)13-24(11-16(19)12-26)17-3-6-20-14-21-17/h3,6,9-10,14,16,26H,2,4-5,7-8,11-13H2,1H3
InChIKeyNJZIESCTKLHBBM-UHFFFAOYSA-N
XLogP1.04
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 91910577) is (1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone is CCn1cc(C(=O)N2CCC3(CC2)CN(c2ccncn2)CC3CO)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is NJZIESCTKLHBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-2-25-10-15(9-22-25)18(27)23-7-4-19(5-8-23)13-24(11-16(19)12-26)17-3-6-20-14-21-17/h3,6,9-10,14,16,26H,2,4-5,7-8,11-13H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 370.46 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 91910577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).