(2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine

C21H26ClN5O — CID 124699195

IUPAC(2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1nn(C)c2ncc(CNC[C@H](c3ccccc3Cl)N3CCOCC3)cc12
InChIInChI=1S/C21H26ClN5O/c1-15-18-11-16(13-24-21(18)26(2)25-15)12-23-14-20(27-7-9-28-10-8-27)17-5-3-4-6-19(17)22/h3-6,11,13,20,23H,7-10,12,14H2,1-2H3/t20-/m1/s1
InChIKeyOGOBVVFPEXBPJG-HXUWFJFHSA-N
MW399.93 g/mol
LogP3.09
Rot. Bonds6

About (2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine

(2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 124699195) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID124699195
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name(2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1nn(C)c2ncc(CNC[C@H](c3ccccc3Cl)N3CCOCC3)cc12
InChIInChI=1S/C21H26ClN5O/c1-15-18-11-16(13-24-21(18)26(2)25-15)12-23-14-20(27-7-9-28-10-8-27)17-5-3-4-6-19(17)22/h3-6,11,13,20,23H,7-10,12,14H2,1-2H3/t20-/m1/s1
InChIKeyOGOBVVFPEXBPJG-HXUWFJFHSA-N
XLogP3.09
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of (2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine (CID 124699195) is (2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine is Cc1nn(C)c2ncc(CNC[C@H](c3ccccc3Cl)N3CCOCC3)cc12.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is OGOBVVFPEXBPJG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26ClN5O/c1-15-18-11-16(13-24-21(18)26(2)25-15)12-23-14-20(27-7-9-28-10-8-27)17-5-3-4-6-19(17)22/h3-6,11,13,20,23H,7-10,12,14H2,1-2H3/t20-/m1/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine?
(2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 399.93 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 124699195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).