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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Related Compounds

(2S)-2-(4-fluorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 36726848
(2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94032612
2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
CID 24855235
4-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 42891735
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66435958
(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 7197181
(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 95559034
2-(4-chlorophenyl)-4-(3-methoxy-6-methyl-2-pyridinyl)morpholine
CID 146042914
(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 95709255
(2R)-2-(4-fluorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94180497
2-(4-chlorophenyl)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 16589637
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415

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).