1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C22H20F2N6O — CID 123351984

IUPAC1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cc(F)ccc2F)CC1
InChIInChI=1S/C22H20F2N6O/c1-31-20-5-3-2-4-18(20)28-8-10-29(11-9-28)21-16-13-27-30(22(16)26-14-25-21)19-12-15(23)6-7-17(19)24/h2-7,12-14H,8-11H2,1H3
InChIKeyPOTSAYKKCXIILH-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.43
Rot. Bonds4

About 1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 123351984) has the molecular formula C22H20F2N6O and a molecular weight of 422.44 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID123351984
Molecular FormulaC22H20F2N6O
Molecular Weight422.44 g/mol
Exact Mass422.17
IUPAC Name1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cc(F)ccc2F)CC1
InChIInChI=1S/C22H20F2N6O/c1-31-20-5-3-2-4-18(20)28-8-10-29(11-9-28)21-16-13-27-30(22(16)26-14-25-21)19-12-15(23)6-7-17(19)24/h2-7,12-14H,8-11H2,1H3
InChIKeyPOTSAYKKCXIILH-UHFFFAOYSA-N
XLogP3.43
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 72547760
1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 110433726
4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 1280386
1-cyclopentyl-4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123979175
4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 110874996
4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 4811206
1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 17017469
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine
CID 136552984
N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 72550974
4-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 47053328

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 123351984) is 1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is POTSAYKKCXIILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O/c1-31-20-5-3-2-4-18(20)28-8-10-29(11-9-28)21-16-13-27-30(22(16)26-14-25-21)19-12-15(23)6-7-17(19)24/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 422.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 123351984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).