7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide

C23H32N6O2 — CID 66732632

IUPAC7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide
SMILESCCn1nc(C)c2c(NC3CCCCC3)c(C3=NOC4(C3)CC(C(=O)NC)C4)cnc21
InChIInChI=1S/C23H32N6O2/c1-4-29-21-19(14(2)27-29)20(26-16-8-6-5-7-9-16)17(13-25-21)18-12-23(31-28-18)10-15(11-23)22(30)24-3/h13,15-16H,4-12H2,1-3H3,(H,24,30)(H,25,26)
InChIKeyDRLFIMWJUKFWMO-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.52
Rot. Bonds5

About 7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide

7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide (PubChem CID 66732632) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide.

Molecular Properties

Compound Name7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide
PubChem CID66732632
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide
SMILESCCn1nc(C)c2c(NC3CCCCC3)c(C3=NOC4(C3)CC(C(=O)NC)C4)cnc21
InChIInChI=1S/C23H32N6O2/c1-4-29-21-19(14(2)27-29)20(26-16-8-6-5-7-9-16)17(13-25-21)18-12-23(31-28-18)10-15(11-23)22(30)24-3/h13,15-16H,4-12H2,1-3H3,(H,24,30)(H,25,26)
InChIKeyDRLFIMWJUKFWMO-UHFFFAOYSA-N
XLogP3.52
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide with MolForge

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Related Compounds

4-[[1-ethyl-3-methyl-5-[8-(methylcarbamoyl)-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 66732820
4-[[1-ethyl-5-(2-hydroxy-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-3-methylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 66732932
N-cyclobutyl-1-ethyl-3-methyl-5-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66733180
N-cyclobutyl-1-ethyl-3-methyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66733088
carbonic acid;3-[4-(cyclobutylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-2-en-8-ol
CID 66733296
2-[5-(2-amino-2-oxoethyl)-3-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-4H-1,2-oxazol-5-yl]acetamide
CID 67221365
N-[7-[4-[(1,1-dihydroxythian-4-yl)amino]-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-5-oxa-6-azaspiro[3.4]oct-6-en-2-yl]propanamide
CID 66732665
7-[4-[(1,1-dihydroxythian-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide
CID 25106757
3-[4-[(1,1-dihydroxythian-4-yl)amino]-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carboxylic acid
CID 66733317
N-[7-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-5-oxa-6-azaspiro[3.4]oct-6-en-2-yl]acetamide
CID 66732925
4-[[1-ethyl-5-[2-(ethylcarbamoyl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 66732604
N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 57464174

Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide?
The IUPAC name of 7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide (CID 66732632) is 7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide.
What is the SMILES notation for 7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide?
The canonical SMILES for 7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide is CCn1nc(C)c2c(NC3CCCCC3)c(C3=NOC4(C3)CC(C(=O)NC)C4)cnc21.
What is the InChIKey of 7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide?
The InChIKey is DRLFIMWJUKFWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-4-29-21-19(14(2)27-29)20(26-16-8-6-5-7-9-16)17(13-25-21)18-12-23(31-28-18)10-15(11-23)22(30)24-3/h13,15-16H,4-12H2,1-3H3,(H,24,30)(H,25,26).
What are the key properties of 7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide?
7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclohexylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide is sourced from PubChem (CID 66732632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).