(2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine

C17H18ClN5O — CID 866543

IUPAC(2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H18ClN5O/c1-11-8-22(9-12(2)24-11)16-15-7-21-23(17(15)20-10-19-16)14-5-3-13(18)4-6-14/h3-7,10-12H,8-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyGYCYUCTVJIWYAD-VXGBXAGGSA-N
MW343.82 g/mol
LogP3.08
Rot. Bonds2

About (2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine

(2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 866543) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is (2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
PubChem CID866543
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name(2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H18ClN5O/c1-11-8-22(9-12(2)24-11)16-15-7-21-23(17(15)20-10-19-16)14-5-3-13(18)4-6-14/h3-7,10-12H,8-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyGYCYUCTVJIWYAD-VXGBXAGGSA-N
XLogP3.08
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,6S)-4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 7205606
(2S,6R)-4-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 866557
(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 7197181
4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032
1-(3-chlorophenyl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 41106071
(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 2380610
(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 124679286
1-(3-chlorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 29105838
4-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 72547760
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
2-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole
CID 138023073

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine (CID 866543) is (2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine is C[C@@H]1CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is GYCYUCTVJIWYAD-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11-8-22(9-12(2)24-11)16-15-7-21-23(17(15)20-10-19-16)14-5-3-13(18)4-6-14/h3-7,10-12H,8-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
(2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 343.82 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 866543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).