ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C25H33N5O5 — CID 90426631

IUPACethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OCC(O)CN)c2)nc2c(cnn2C(C)C)c1N1CCOCC1
InChIInChI=1S/C25H33N5O5/c1-4-34-25(32)21-22(17-6-5-7-19(12-17)35-15-18(31)13-26)28-24-20(14-27-30(24)16(2)3)23(21)29-8-10-33-11-9-29/h5-7,12,14,16,18,31H,4,8-11,13,15,26H2,1-3H3
InChIKeyVNVVUFMTUFKCEA-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.39
Rot. Bonds9

About ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 90426631) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID90426631
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC Nameethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OCC(O)CN)c2)nc2c(cnn2C(C)C)c1N1CCOCC1
InChIInChI=1S/C25H33N5O5/c1-4-34-25(32)21-22(17-6-5-7-19(12-17)35-15-18(31)13-26)28-24-20(14-27-30(24)16(2)3)23(21)29-8-10-33-11-9-29/h5-7,12,14,16,18,31H,4,8-11,13,15,26H2,1-3H3
InChIKeyVNVVUFMTUFKCEA-UHFFFAOYSA-N
XLogP2.39
TPSA124.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]phenol
CID 85472938
6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-3-methyl-4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 90426394
[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid
CID 130476080
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
CID 17393188
ethane;ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(trifluoromethylsulfonyloxy)pyrimidine-5-carboxylate
CID 142901895
11-(3-ethoxyphenyl)-6-propan-2-yl-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one
CID 118956436
ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 70596773
ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 139881750
3-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-1-[3-[4-(3-aminopropylamino)-6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]butyl]-1-methylurea
CID 130279422
ethyl 2-[3-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]acetate
CID 134960958
ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate
CID 71273464
ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
CID 779668

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 90426631) is ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(-c2cccc(OCC(O)CN)c2)nc2c(cnn2C(C)C)c1N1CCOCC1.
What is the InChIKey of ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is VNVVUFMTUFKCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-4-34-25(32)21-22(17-6-5-7-19(12-17)35-15-18(31)13-26)28-24-20(14-27-30(24)16(2)3)23(21)29-8-10-33-11-9-29/h5-7,12,14,16,18,31H,4,8-11,13,15,26H2,1-3H3.
What are the key properties of ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 483.57 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(3-amino-2-hydroxypropoxy)phenyl]-4-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 90426631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).