4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C46H51ClN10O8 — CID 157293176

IUPAC4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCNCC2)OCC1=O.Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(Cl)c12.Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(N3CCC4(CC3)CN(C)C(=O)CO4)c12
InChIInChI=1S/C23H25N5O4.C14H10ClN3O2.C9H16N2O2/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;1-8-12-10(15)7-11(14(19)20)16-13(12)18(17-8)9-5-3-2-4-6-9;1-11-7-9(13-6-8(11)12)2-4-10-5-3-9/h3-7,12H,8-11,13-14H2,1-2H3,(H,30,31);2-7H,1H3,(H,19,20);10H,2-7H2,1H3
InChIKeyBBARQXQAUVGOSR-UHFFFAOYSA-N
MW907.43 g/mol
LogP4.93
Rot. Bonds5

About 4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 157293176) has the molecular formula C46H51ClN10O8 and a molecular weight of 907.43 g/mol. Its IUPAC name is 4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID157293176
Molecular FormulaC46H51ClN10O8
Molecular Weight907.43 g/mol
Exact Mass906.36
IUPAC Name4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCNCC2)OCC1=O.Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(Cl)c12.Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(N3CCC4(CC3)CN(C)C(=O)CO4)c12
InChIInChI=1S/C23H25N5O4.C14H10ClN3O2.C9H16N2O2/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;1-8-12-10(15)7-11(14(19)20)16-13(12)18(17-8)9-5-3-2-4-6-9;1-11-7-9(13-6-8(11)12)2-4-10-5-3-9/h3-7,12H,8-11,13-14H2,1-2H3,(H,30,31);2-7H,1H3,(H,19,20);10H,2-7H2,1H3
InChIKeyBBARQXQAUVGOSR-UHFFFAOYSA-N
XLogP4.93
TPSA210.37 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.43
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

4-[(3aR,7aS)-1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;bis(4-[(3aR,7aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid);acetyl chloride;tert-butyl (3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-ethyl-N-propan-2-ylpropan-2-amine;4-methylmorpholine;2,2,2-trifluoroacetic acid
CID 159630328
sodium;[4-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl]methanone;4-[(3aR,7aS)-1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-[(3aR,7aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;acetyl chloride;tert-butyl (3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methylmorpholine;2,2,2-trifluoroacetic acid;hydroxide
CID 160810151
sodium;[4-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl]methanone;4-[(3aR,7aS)-1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-[(3aR,7aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;acetyl chloride;tert-butyl (3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-ethyl-N-propan-2-ylpropan-2-amine;4-methylmorpholine;2,2,2-trifluoroacetic acid;hydroxide
CID 161488967
sodium;[4-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl]methanone;4-[(3aR,7aS)-1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-[(3aR,7aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;acetyl chloride;tert-butyl (3aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-ethyl-N-propan-2-ylpropan-2-amine;4-methylmorpholine;2,2,2-trifluoroacetic acid;hydroxide
CID 161488968
sodium;[4-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl]methanone;4-[(3aS,7aR)-1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-[(3aR,7aS)-1-acetyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4-[(3aR,7aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;acetyl chloride;4-methylmorpholine;2,2,2-trifluoroacetic acid;hydroxide
CID 162117661
3-Cyclobutyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742342
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
4-Amino-1-[4-[2-[4-chloro-6-ethoxycarbonyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-3-yl]propyl]-3-methylphenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 129024265
4-Amino-1-(3-methylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 4-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 145290410
tert-butyl 4-[[3-[4-(aminomethyl)-2-pyridinyl]phenyl]methyl]piperidine-1-carboxylate;6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[2-[3-(piperazin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]pyridine-2,6-dicarboxamide
CID 157200100
Ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;4-(4-methoxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 157219502
3-[(Dimethylamino)methyl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-(methylaminomethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 157229546

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 157293176) is 4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCNCC2)OCC1=O.Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(Cl)c12.Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(N3CCC4(CC3)CN(C)C(=O)CO4)c12.
What is the InChIKey of 4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BBARQXQAUVGOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4.C14H10ClN3O2.C9H16N2O2/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;1-8-12-10(15)7-11(14(19)20)16-13(12)18(17-8)9-5-3-2-4-6-9;1-11-7-9(13-6-8(11)12)2-4-10-5-3-9/h3-7,12H,8-11,13-14H2,1-2H3,(H,30,31);2-7H,1H3,(H,19,20);10H,2-7H2,1H3.
What are the key properties of 4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 907.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-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;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 157293176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).