1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one

C25H30N6O4 — CID 148809818

IUPAC1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
SMILESCNc1cc(Nc2cccn(CCOC3CC3)c2=O)nc2c(C(=O)CC3CC4(COC4)C3)cnn12
InChIInChI=1S/C25H30N6O4/c1-26-22-10-21(28-19-3-2-6-30(24(19)33)7-8-35-17-4-5-17)29-23-18(13-27-31(22)23)20(32)9-16-11-25(12-16)14-34-15-25/h2-3,6,10,13,16-17,26H,4-5,7-9,11-12,14-15H2,1H3,(H,28,29)
InChIKeyOPRNTXSORWONIL-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.85
Rot. Bonds10

About 1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one

1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one (PubChem CID 148809818) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
PubChem CID148809818
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
SMILESCNc1cc(Nc2cccn(CCOC3CC3)c2=O)nc2c(C(=O)CC3CC4(COC4)C3)cnn12
InChIInChI=1S/C25H30N6O4/c1-26-22-10-21(28-19-3-2-6-30(24(19)33)7-8-35-17-4-5-17)29-23-18(13-27-31(22)23)20(32)9-16-11-25(12-16)14-34-15-25/h2-3,6,10,13,16-17,26H,4-5,7-9,11-12,14-15H2,1H3,(H,28,29)
InChIKeyOPRNTXSORWONIL-UHFFFAOYSA-N
XLogP2.85
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
The IUPAC name of 1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one (CID 148809818) is 1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one.
What is the SMILES notation for 1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
The canonical SMILES for 1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one is CNc1cc(Nc2cccn(CCOC3CC3)c2=O)nc2c(C(=O)CC3CC4(COC4)C3)cnn12.
What is the InChIKey of 1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
The InChIKey is OPRNTXSORWONIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-26-22-10-21(28-19-3-2-6-30(24(19)33)7-8-35-17-4-5-17)29-23-18(13-27-31(22)23)20(32)9-16-11-25(12-16)14-34-15-25/h2-3,6,10,13,16-17,26H,4-5,7-9,11-12,14-15H2,1H3,(H,28,29).
What are the key properties of 1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one?
1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one has a molecular weight of 478.55 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxyethyl)-3-[[7-(methylamino)-3-[2-(2-oxaspiro[3.3]heptan-6-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one is sourced from PubChem (CID 148809818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).