(2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine

C19H25N5O3 — CID 130372388

IUPAC(2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
SMILESCOCCOc1ccc2c(c1)C(c1cc(N3CCO[C@@H](C)C3)ncn1)NN2
InChIInChI=1S/C19H25N5O3/c1-13-11-24(5-6-26-13)18-10-17(20-12-21-18)19-15-9-14(27-8-7-25-2)3-4-16(15)22-23-19/h3-4,9-10,12-13,19,22-23H,5-8,11H2,1-2H3/t13-,19?/m0/s1
InChIKeyHKVRDELXDGCRJO-YTJLLHSVSA-N
MW371.44 g/mol
LogP1.75
Rot. Bonds6

About (2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine

(2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine (PubChem CID 130372388) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
PubChem CID130372388
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name(2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
SMILESCOCCOc1ccc2c(c1)C(c1cc(N3CCO[C@@H](C)C3)ncn1)NN2
InChIInChI=1S/C19H25N5O3/c1-13-11-24(5-6-26-13)18-10-17(20-12-21-18)19-15-9-14(27-8-7-25-2)3-4-16(15)22-23-19/h3-4,9-10,12-13,19,22-23H,5-8,11H2,1-2H3/t13-,19?/m0/s1
InChIKeyHKVRDELXDGCRJO-YTJLLHSVSA-N
XLogP1.75
TPSA80.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine?
The IUPAC name of (2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine (CID 130372388) is (2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine.
What is the SMILES notation for (2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine?
The canonical SMILES for (2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine is COCCOc1ccc2c(c1)C(c1cc(N3CCO[C@@H](C)C3)ncn1)NN2.
What is the InChIKey of (2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine?
The InChIKey is HKVRDELXDGCRJO-YTJLLHSVSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13-11-24(5-6-26-13)18-10-17(20-12-21-18)19-15-9-14(27-8-7-25-2)3-4-16(15)22-23-19/h3-4,9-10,12-13,19,22-23H,5-8,11H2,1-2H3/t13-,19?/m0/s1.
What are the key properties of (2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine?
(2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine has a molecular weight of 371.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine is sourced from PubChem (CID 130372388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).