N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine

C19H25N5O — CID 57464174

IUPACN-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCc1nn(C)c2ncc(C3=NOC4(CCC4)C3)c(NC3CCCC3)c12
InChIInChI=1S/C19H25N5O/c1-12-16-17(21-13-6-3-4-7-13)14(11-20-18(16)24(2)22-12)15-10-19(25-23-15)8-5-9-19/h11,13H,3-10H2,1-2H3,(H,20,21)
InChIKeyIZMPBVBKPPVMOI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.68
Rot. Bonds3

About N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine

N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 57464174) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
PubChem CID57464174
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
SMILESCc1nn(C)c2ncc(C3=NOC4(CCC4)C3)c(NC3CCCC3)c12
InChIInChI=1S/C19H25N5O/c1-12-16-17(21-13-6-3-4-7-13)14(11-20-18(16)24(2)22-12)15-10-19(25-23-15)8-5-9-19/h11,13H,3-10H2,1-2H3,(H,20,21)
InChIKeyIZMPBVBKPPVMOI-UHFFFAOYSA-N
XLogP3.68
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 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) is N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine is Cc1nn(C)c2ncc(C3=NOC4(CCC4)C3)c(NC3CCCC3)c12.
What is the InChIKey of N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is IZMPBVBKPPVMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12-16-17(21-13-6-3-4-7-13)14(11-20-18(16)24(2)22-12)15-10-19(25-23-15)8-5-9-19/h11,13H,3-10H2,1-2H3,(H,20,21).
What are the key properties of N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine?
N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,3-dimethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 57464174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).