5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one

C24H22N6O2 — CID 149305540

IUPAC5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccc(-c3cc(Nc4ccc(N5CCOCC5)cn4)n4nccc4n3)cc2C1
InChIInChI=1S/C24H22N6O2/c31-20-12-16-1-2-17(11-18(16)13-20)21-14-24(30-23(27-21)5-6-26-30)28-22-4-3-19(15-25-22)29-7-9-32-10-8-29/h1-6,11,14-15H,7-10,12-13H2,(H,25,28)
InChIKeyXXPCFIUXNVTPLZ-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.04
Rot. Bonds4

About 5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one

5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one (PubChem CID 149305540) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one
PubChem CID149305540
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccc(-c3cc(Nc4ccc(N5CCOCC5)cn4)n4nccc4n3)cc2C1
InChIInChI=1S/C24H22N6O2/c31-20-12-16-1-2-17(11-18(16)13-20)21-14-24(30-23(27-21)5-6-26-30)28-22-4-3-19(15-25-22)29-7-9-32-10-8-29/h1-6,11,14-15H,7-10,12-13H2,(H,25,28)
InChIKeyXXPCFIUXNVTPLZ-UHFFFAOYSA-N
XLogP3.04
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one?
The IUPAC name of 5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one (CID 149305540) is 5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one.
What is the SMILES notation for 5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one?
The canonical SMILES for 5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one is O=C1Cc2ccc(-c3cc(Nc4ccc(N5CCOCC5)cn4)n4nccc4n3)cc2C1.
What is the InChIKey of 5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one?
The InChIKey is XXPCFIUXNVTPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-20-12-16-1-2-17(11-18(16)13-20)21-14-24(30-23(27-21)5-6-26-30)28-22-4-3-19(15-25-22)29-7-9-32-10-8-29/h1-6,11,14-15H,7-10,12-13H2,(H,25,28).
What are the key properties of 5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one?
5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one has a molecular weight of 426.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-dihydroinden-2-one is sourced from PubChem (CID 149305540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).