(3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C22H19ClN6O — CID 1463386

IUPAC(3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C22H19ClN6O/c23-17-6-4-5-16(13-17)22(30)28-11-9-27(10-12-28)20-19-14-26-29(21(19)25-15-24-20)18-7-2-1-3-8-18/h1-8,13-15H,9-12H2
InChIKeyGCXRVHKLLNXRIW-UHFFFAOYSA-N
MW418.89 g/mol
LogP3.43
Rot. Bonds3

About (3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 1463386) has the molecular formula C22H19ClN6O and a molecular weight of 418.89 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID1463386
Molecular FormulaC22H19ClN6O
Molecular Weight418.89 g/mol
Exact Mass418.13
IUPAC Name(3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C22H19ClN6O/c23-17-6-4-5-16(13-17)22(30)28-11-9-27(10-12-28)20-19-14-26-29(21(19)25-15-24-20)18-7-2-1-3-8-18/h1-8,13-15H,9-12H2
InChIKeyGCXRVHKLLNXRIW-UHFFFAOYSA-N
XLogP3.43
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 1463386) is (3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is GCXRVHKLLNXRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O/c23-17-6-4-5-16(13-17)22(30)28-11-9-27(10-12-28)20-19-14-26-29(21(19)25-15-24-20)18-7-2-1-3-8-18/h1-8,13-15H,9-12H2.
What are the key properties of (3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 418.89 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 1463386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).