N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine

C18H23N5O — CID 91585007

IUPACN-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
SMILESCCc1nc2[nH]ncc2c(NC2CC2)c1C1=CC2(CCCC2)ON1
InChIInChI=1S/C18H23N5O/c1-2-13-15(14-9-18(24-23-14)7-3-4-8-18)16(20-11-5-6-11)12-10-19-22-17(12)21-13/h9-11,23H,2-8H2,1H3,(H2,19,20,21,22)
InChIKeyCCZKSJXIBUEQIJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.28
Rot. Bonds4

About N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine

N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 91585007) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
PubChem CID91585007
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
SMILESCCc1nc2[nH]ncc2c(NC2CC2)c1C1=CC2(CCCC2)ON1
InChIInChI=1S/C18H23N5O/c1-2-13-15(14-9-18(24-23-14)7-3-4-8-18)16(20-11-5-6-11)12-10-19-22-17(12)21-13/h9-11,23H,2-8H2,1H3,(H2,19,20,21,22)
InChIKeyCCZKSJXIBUEQIJ-UHFFFAOYSA-N
XLogP3.28
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine (CID 91585007) is N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine is CCc1nc2[nH]ncc2c(NC2CC2)c1C1=CC2(CCCC2)ON1.
What is the InChIKey of N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is CCZKSJXIBUEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-13-15(14-9-18(24-23-14)7-3-4-8-18)16(20-11-5-6-11)12-10-19-22-17(12)21-13/h9-11,23H,2-8H2,1H3,(H2,19,20,21,22).
What are the key properties of N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine?
N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 91585007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).