(2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

C22H24N6O — CID 90401082

IUPAC(2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESC[C@@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ccn2)C[C@H](C)O1
InChIInChI=1S/C22H24N6O/c1-14-11-28(12-15(2)29-14)21-9-17(6-7-23-21)22-19-8-16(4-5-20(19)25-26-22)18-10-24-27(3)13-18/h4-10,13-15H,11-12H2,1-3H3,(H,25,26)/t14-,15+
InChIKeyHBXHVLCJHPPPMZ-GASCZTMLSA-N
MW388.48 g/mol
LogP3.64
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

(2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 90401082) 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-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
PubChem CID90401082
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name(2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESC[C@@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ccn2)C[C@H](C)O1
InChIInChI=1S/C22H24N6O/c1-14-11-28(12-15(2)29-14)21-9-17(6-7-23-21)22-19-8-16(4-5-20(19)25-26-22)18-10-24-27(3)13-18/h4-10,13-15H,11-12H2,1-3H3,(H,25,26)/t14-,15+
InChIKeyHBXHVLCJHPPPMZ-GASCZTMLSA-N
XLogP3.64
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (CID 90401082) is (2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ccn2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is HBXHVLCJHPPPMZ-GASCZTMLSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14-11-28(12-15(2)29-14)21-9-17(6-7-23-21)22-19-8-16(4-5-20(19)25-26-22)18-10-24-27(3)13-18/h4-10,13-15H,11-12H2,1-3H3,(H,25,26)/t14-,15+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
(2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 388.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 90401082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).