4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine

C19H21N5O3S — CID 71584282

IUPAC4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ncc34)n2)CC1
InChIInChI=1S/C19H21N5O3S/c1-28(25,26)19(5-6-19)16-11-17(24-7-9-27-10-8-24)22-18(21-16)13-3-2-4-15-14(13)12-20-23-15/h2-4,11-12H,5-10H2,1H3,(H,20,23)
InChIKeyVOIVZIWKXIALNL-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.89
Rot. Bonds4

About 4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine

4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine (PubChem CID 71584282) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
PubChem CID71584282
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ncc34)n2)CC1
InChIInChI=1S/C19H21N5O3S/c1-28(25,26)19(5-6-19)16-11-17(24-7-9-27-10-8-24)22-18(21-16)13-3-2-4-15-14(13)12-20-23-15/h2-4,11-12H,5-10H2,1H3,(H,20,23)
InChIKeyVOIVZIWKXIALNL-UHFFFAOYSA-N
XLogP1.89
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine (CID 71584282) is 4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine is CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ncc34)n2)CC1.
What is the InChIKey of 4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
The InChIKey is VOIVZIWKXIALNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-28(25,26)19(5-6-19)16-11-17(24-7-9-27-10-8-24)22-18(21-16)13-3-2-4-15-14(13)12-20-23-15/h2-4,11-12H,5-10H2,1H3,(H,20,23).
What are the key properties of 4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine has a molecular weight of 399.48 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71584282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).