4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C18H21FN8 — CID 155798905

IUPAC4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(C2CC2)nc(N2CCN(c3ncnc4c3cnn4C)CC2)c1F
InChIInChI=1S/C18H21FN8/c1-11-14(19)18(24-15(23-11)12-3-4-12)27-7-5-26(6-8-27)17-13-9-22-25(2)16(13)20-10-21-17/h9-10,12H,3-8H2,1-2H3
InChIKeyHVYNIQHOWQSHAO-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.80
Rot. Bonds3

About 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 155798905) has the molecular formula C18H21FN8 and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID155798905
Molecular FormulaC18H21FN8
Molecular Weight368.42 g/mol
Exact Mass368.19
IUPAC Name4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(C2CC2)nc(N2CCN(c3ncnc4c3cnn4C)CC2)c1F
InChIInChI=1S/C18H21FN8/c1-11-14(19)18(24-15(23-11)12-3-4-12)27-7-5-26(6-8-27)17-13-9-22-25(2)16(13)20-10-21-17/h9-10,12H,3-8H2,1-2H3
InChIKeyHVYNIQHOWQSHAO-UHFFFAOYSA-N
XLogP1.80
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155799152
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 154829246
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154882886
6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 155798288
1-methyl-4-[4-[(2,3,4,5,6-pentafluorophenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 18150395
1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 48933564
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 47282393

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 155798905) is 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is Cc1nc(C2CC2)nc(N2CCN(c3ncnc4c3cnn4C)CC2)c1F.
What is the InChIKey of 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is HVYNIQHOWQSHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN8/c1-11-14(19)18(24-15(23-11)12-3-4-12)27-7-5-26(6-8-27)17-13-9-22-25(2)16(13)20-10-21-17/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 368.42 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 155798905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).