N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine

C19H25N5O2 — CID 90854290

IUPACN-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine
SMILESCc1nn(C)c2ncc(C3=CC4(CCOC4)ON3)c(NC3CCCC3)c12
InChIInChI=1S/C19H25N5O2/c1-12-16-17(21-13-5-3-4-6-13)14(10-20-18(16)24(2)22-12)15-9-19(26-23-15)7-8-25-11-19/h9-10,13,23H,3-8,11H2,1-2H3,(H,20,21)
InChIKeySTJVSZHJCPMTAJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.67
Rot. Bonds3

About N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine

N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine (PubChem CID 90854290) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine
PubChem CID90854290
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine
SMILESCc1nn(C)c2ncc(C3=CC4(CCOC4)ON3)c(NC3CCCC3)c12
InChIInChI=1S/C19H25N5O2/c1-12-16-17(21-13-5-3-4-6-13)14(10-20-18(16)24(2)22-12)15-9-19(26-23-15)7-8-25-11-19/h9-10,13,23H,3-8,11H2,1-2H3,(H,20,21)
InChIKeySTJVSZHJCPMTAJ-UHFFFAOYSA-N
XLogP2.67
TPSA73.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 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) is N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine is Cc1nn(C)c2ncc(C3=CC4(CCOC4)ON3)c(NC3CCCC3)c12.
What is the InChIKey of N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is STJVSZHJCPMTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-16-17(21-13-5-3-4-6-13)14(10-20-18(16)24(2)22-12)15-9-19(26-23-15)7-8-25-11-19/h9-10,13,23H,3-8,11H2,1-2H3,(H,20,21).
What are the key properties of N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine?
N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 355.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 90854290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).