[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid

C20H25N5O4 — CID 130476080

IUPAC[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid
SMILESCNCC(O)COc1cccc(-c2cc(NC(=O)O)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C20H25N5O4/c1-12(2)25-19-16(10-22-25)18(24-20(27)28)8-17(23-19)13-5-4-6-15(7-13)29-11-14(26)9-21-3/h4-8,10,12,14,21,26H,9,11H2,1-3H3,(H,23,24)(H,27,28)
InChIKeyFCJXRPNVUXJMAG-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.73
Rot. Bonds8

About [6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid

[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid (PubChem CID 130476080) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is [6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid.

Molecular Properties

Compound Name[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid
PubChem CID130476080
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid
SMILESCNCC(O)COc1cccc(-c2cc(NC(=O)O)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C20H25N5O4/c1-12(2)25-19-16(10-22-25)18(24-20(27)28)8-17(23-19)13-5-4-6-15(7-13)29-11-14(26)9-21-3/h4-8,10,12,14,21,26H,9,11H2,1-3H3,(H,23,24)(H,27,28)
InChIKeyFCJXRPNVUXJMAG-UHFFFAOYSA-N
XLogP2.73
TPSA121.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid?
The IUPAC name of [6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid (CID 130476080) is [6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid.
What is the SMILES notation for [6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid?
The canonical SMILES for [6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid is CNCC(O)COc1cccc(-c2cc(NC(=O)O)c3cnn(C(C)C)c3n2)c1.
What is the InChIKey of [6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid?
The InChIKey is FCJXRPNVUXJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-12(2)25-19-16(10-22-25)18(24-20(27)28)8-17(23-19)13-5-4-6-15(7-13)29-11-14(26)9-21-3/h4-8,10,12,14,21,26H,9,11H2,1-3H3,(H,23,24)(H,27,28).
What are the key properties of [6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid?
[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid has a molecular weight of 399.45 g/mol, XLogP of 2.73, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid is sourced from PubChem (CID 130476080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).