1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

C24H21N5O2 — CID 108774395

IUPAC1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C24H21N5O2/c30-20-14-24(31-21-9-5-4-8-18(20)21)10-12-28(13-11-24)22-19-15-27-29(23(19)26-16-25-22)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyNXFCJPVXAKQGGU-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.82
Rot. Bonds2

About 1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108774395) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108774395
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C24H21N5O2/c30-20-14-24(31-21-9-5-4-8-18(20)21)10-12-28(13-11-24)22-19-15-27-29(23(19)26-16-25-22)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyNXFCJPVXAKQGGU-UHFFFAOYSA-N
XLogP3.82
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108774395) is 1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is NXFCJPVXAKQGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-20-14-24(31-21-9-5-4-8-18(20)21)10-12-28(13-11-24)22-19-15-27-29(23(19)26-16-25-22)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2.
What are the key properties of 1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 411.47 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108774395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).