2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

C16H16ClN5O — CID 86808286

IUPAC2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCn1ncc2c(N3CCOC(c4ccc(Cl)cc4)C3)ncnc21
InChIInChI=1S/C16H16ClN5O/c1-21-15-13(8-20-21)16(19-10-18-15)22-6-7-23-14(9-22)11-2-4-12(17)5-3-11/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyFCAGNBCGWRUDKB-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.59
Rot. Bonds2

About 2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (PubChem CID 86808286) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
PubChem CID86808286
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCn1ncc2c(N3CCOC(c4ccc(Cl)cc4)C3)ncnc21
InChIInChI=1S/C16H16ClN5O/c1-21-15-13(8-20-21)16(19-10-18-15)22-6-7-23-14(9-22)11-2-4-12(17)5-3-11/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyFCAGNBCGWRUDKB-UHFFFAOYSA-N
XLogP2.59
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (CID 86808286) is 2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is Cn1ncc2c(N3CCOC(c4ccc(Cl)cc4)C3)ncnc21.
What is the InChIKey of 2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is FCAGNBCGWRUDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-21-15-13(8-20-21)16(19-10-18-15)22-6-7-23-14(9-22)11-2-4-12(17)5-3-11/h2-5,8,10,14H,6-7,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 329.79 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 86808286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).