N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine

C19H25N5O — CID 90818486

IUPACN-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCc1nn(C)c2ncc(C3=CC4(CCCCC4)ON3)c(NC3CC3)c12
InChIInChI=1S/C19H25N5O/c1-12-16-17(21-13-6-7-13)14(11-20-18(16)24(2)22-12)15-10-19(25-23-15)8-4-3-5-9-19/h10-11,13,23H,3-9H2,1-2H3,(H,20,21)
InChIKeyRQWFDLDEFHJSIH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.43
Rot. Bonds3

About N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine

N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 90818486) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
PubChem CID90818486
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCc1nn(C)c2ncc(C3=CC4(CCCCC4)ON3)c(NC3CC3)c12
InChIInChI=1S/C19H25N5O/c1-12-16-17(21-13-6-7-13)14(11-20-18(16)24(2)22-12)15-10-19(25-23-15)8-4-3-5-9-19/h10-11,13,23H,3-9H2,1-2H3,(H,20,21)
InChIKeyRQWFDLDEFHJSIH-UHFFFAOYSA-N
XLogP3.43
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine with MolForge

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Related Compounds

N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine
CID 90854290
4-[[1-ethyl-3-methyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)pyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 90869913
3-[4-[(4-carboxycyclohexyl)amino]-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-3-ene-8-carboxylic acid
CID 123883351
3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-1-oxa-2-azaspiro[4.5]dec-3-en-8-ol
CID 91577933
methyl 3-[4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-2H-1,2-oxazole-5-carboxylate
CID 91072492
N-cyclohexyl-1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 91065061
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
1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 91176499
3-[[5-(2-cyano-5-oxa-6-azaspiro[3.4]oct-7-en-7-yl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 91347065
4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 87248039
2-[5-(2-amino-2-oxoethyl)-3-[4-[(1,1-dioxothian-4-yl)amino]-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]-2H-1,2-oxazol-5-yl]acetamide
CID 123240745
1-ethyl-N-(1-methylsulfonylpiperidin-4-yl)-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 90890342

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine (CID 90818486) is N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine is Cc1nn(C)c2ncc(C3=CC4(CCCCC4)ON3)c(NC3CC3)c12.
What is the InChIKey of N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is RQWFDLDEFHJSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12-16-17(21-13-6-7-13)14(11-20-18(16)24(2)22-12)15-10-19(25-23-15)8-4-3-5-9-19/h10-11,13,23H,3-9H2,1-2H3,(H,20,21).
What are the key properties of N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine?
N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,3-dimethyl-5-(1-oxa-2-azaspiro[4.5]dec-3-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 90818486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).