2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C26H32N6O4 — CID 4204758

IUPAC2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC2(CC1)CCN(C(=O)c1cnc3c(c(C)nn3C)c1OC)C2
InChIInChI=1S/C26H32N6O4/c1-17-21-22(36-4)18(15-27-23(21)30(2)29-17)24(33)32-14-11-26(16-32)9-12-31(13-10-26)25(34)28-19-7-5-6-8-20(19)35-3/h5-8,15H,9-14,16H2,1-4H3,(H,28,34)
InChIKeyFTUOTNCASFBNTK-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 4204758) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID4204758
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC Name2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC2(CC1)CCN(C(=O)c1cnc3c(c(C)nn3C)c1OC)C2
InChIInChI=1S/C26H32N6O4/c1-17-21-22(36-4)18(15-27-23(21)30(2)29-17)24(33)32-14-11-26(16-32)9-12-31(13-10-26)25(34)28-19-7-5-6-8-20(19)35-3/h5-8,15H,9-14,16H2,1-4H3,(H,28,34)
InChIKeyFTUOTNCASFBNTK-UHFFFAOYSA-N
XLogP3.45
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-pyrrol-1-ylphenyl)methanone
CID 3550190
[8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 3798061
N-(2-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 5019002
N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 4204487
but-2-ynyl 8-[(2-methoxyphenyl)carbamoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 3863013
N-(2-methoxyphenyl)-2-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 74224172
2-[3-(carbamothioylamino)benzoyl]-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 74229495
S-[(2S)-3-[8-[(2-methoxyphenyl)carbamoyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-methyl-3-oxopropyl] ethanethioate
CID 74227793
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407
N-(2-methoxyphenyl)-2-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3829047
(2-methoxy-5-methylphenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534319
N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 5015571

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 4204758) is 2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is COc1ccccc1NC(=O)N1CCC2(CC1)CCN(C(=O)c1cnc3c(c(C)nn3C)c1OC)C2.
What is the InChIKey of 2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is FTUOTNCASFBNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-17-21-22(36-4)18(15-27-23(21)30(2)29-17)24(33)32-14-11-26(16-32)9-12-31(13-10-26)25(34)28-19-7-5-6-8-20(19)35-3/h5-8,15H,9-14,16H2,1-4H3,(H,28,34).
What are the key properties of 2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 4204758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).