1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine

C19H21N7O — CID 90965291

IUPAC1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ncccn3)c(C3=CC4(CCCC4)ON3)cnc21
InChIInChI=1S/C19H21N7O/c1-2-26-17-14(12-23-26)16(24-18-20-8-5-9-21-18)13(11-22-17)15-10-19(27-25-15)6-3-4-7-19/h5,8-12,25H,2-4,6-7H2,1H3,(H,20,21,22,24)
InChIKeyVEIVQFRPRPWWNX-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.17
Rot. Bonds4

About 1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine

1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine (PubChem CID 90965291) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine
PubChem CID90965291
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(Nc3ncccn3)c(C3=CC4(CCCC4)ON3)cnc21
InChIInChI=1S/C19H21N7O/c1-2-26-17-14(12-23-26)16(24-18-20-8-5-9-21-18)13(11-22-17)15-10-19(27-25-15)6-3-4-7-19/h5,8-12,25H,2-4,6-7H2,1H3,(H,20,21,22,24)
InChIKeyVEIVQFRPRPWWNX-UHFFFAOYSA-N
XLogP3.17
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine (CID 90965291) is 1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(Nc3ncccn3)c(C3=CC4(CCCC4)ON3)cnc21.
What is the InChIKey of 1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is VEIVQFRPRPWWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-2-26-17-14(12-23-26)16(24-18-20-8-5-9-21-18)13(11-22-17)15-10-19(27-25-15)6-3-4-7-19/h5,8-12,25H,2-4,6-7H2,1H3,(H,20,21,22,24).
What are the key properties of 1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 363.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 90965291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).