3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C23H25N5O4 — CID 126743083

IUPAC3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)O)cc(N3CCC4(CC3)CN(C)C(=O)CO4)c12
InChIInChI=1S/C23H25N5O4/c1-15-20-18(27-10-8-23(9-11-27)14-26(2)19(29)13-32-23)12-17(22(30)31)24-21(20)28(25-15)16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3,(H,30,31)
InChIKeyUYUZEZDXPDKFEN-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.25
Rot. Bonds3

About 3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743083) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743083
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)O)cc(N3CCC4(CC3)CN(C)C(=O)CO4)c12
InChIInChI=1S/C23H25N5O4/c1-15-20-18(27-10-8-23(9-11-27)14-26(2)19(29)13-32-23)12-17(22(30)31)24-21(20)28(25-15)16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3,(H,30,31)
InChIKeyUYUZEZDXPDKFEN-UHFFFAOYSA-N
XLogP2.25
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 126741501
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CID 126741913
CID 126742013
CID 126742013
CID 126742083
CID 126742083
CID 126742219
CID 126742219
CID 126742312
CID 126742312
CID 126742476
CID 126742476
CID 126742549
CID 126742549
CID 126742908
CID 126742908
CID 126742967
CID 126742967
CID 126743063
CID 126743063

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743083) is 3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(N3CCC4(CC3)CN(C)C(=O)CO4)c12.
What is the InChIKey of 3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is UYUZEZDXPDKFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-15-20-18(27-10-8-23(9-11-27)14-26(2)19(29)13-32-23)12-17(22(30)31)24-21(20)28(25-15)16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3,(H,30,31).
What are the key properties of 3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 435.48 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).