(2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

C22H24N6O — CID 118930313

IUPAC(2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESC[C@@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)C[C@H](C)O1
InChIInChI=1S/C22H24N6O/c1-15-12-27(13-16(2)29-15)22-9-20(6-7-23-22)28-21-8-17(4-5-18(21)10-25-28)19-11-24-26(3)14-19/h4-11,14-16H,12-13H2,1-3H3/t15-,16+
InChIKeyJLBMPAIKDCGEES-IYBDPMFKSA-N
MW388.48 g/mol
LogP3.43
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

(2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (PubChem CID 118930313) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
PubChem CID118930313
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name(2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESC[C@@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)C[C@H](C)O1
InChIInChI=1S/C22H24N6O/c1-15-12-27(13-16(2)29-15)22-9-20(6-7-23-22)28-21-8-17(4-5-18(21)10-25-28)19-11-24-26(3)14-19/h4-11,14-16H,12-13H2,1-3H3/t15-,16+
InChIKeyJLBMPAIKDCGEES-IYBDPMFKSA-N
XLogP3.43
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (CID 118930313) is (2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is C[C@@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is JLBMPAIKDCGEES-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15-12-27(13-16(2)29-15)22-9-20(6-7-23-22)28-21-8-17(4-5-18(21)10-25-28)19-11-24-26(3)14-19/h4-11,14-16H,12-13H2,1-3H3/t15-,16+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
(2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine has a molecular weight of 388.48 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118930313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).