7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C20H23F2N7 — CID 154829283

IUPAC7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C20H23F2N7/c1-12-10-18(29-17(23-12)9-13(2)26-29)28-7-5-27(6-8-28)16-11-15(19(21)22)24-20(25-16)14-3-4-14/h9-11,14,19H,3-8H2,1-2H3
InChIKeyROMYLZFXVUJGFV-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.28
Rot. Bonds4

About 7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 154829283) has the molecular formula C20H23F2N7 and a molecular weight of 399.45 g/mol. Its IUPAC name is 7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID154829283
Molecular FormulaC20H23F2N7
Molecular Weight399.45 g/mol
Exact Mass399.20
IUPAC Name7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C20H23F2N7/c1-12-10-18(29-17(23-12)9-13(2)26-29)28-7-5-27(6-8-28)16-11-15(19(21)22)24-20(25-16)14-3-4-14/h9-11,14,19H,3-8H2,1-2H3
InChIKeyROMYLZFXVUJGFV-UHFFFAOYSA-N
XLogP3.28
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 154882870
7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 139027268
7-[3-(fluoromethyl)piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 155941691
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 154829274
3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 155980257
(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
CID 164640132
5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 154828957
N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
CID 175649058
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 154829246
2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 139027856
5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 155974648
2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 95895380

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 154829283) is 7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n2nc(C)cc2n1.
What is the InChIKey of 7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ROMYLZFXVUJGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7/c1-12-10-18(29-17(23-12)9-13(2)26-29)28-7-5-27(6-8-28)16-11-15(19(21)22)24-20(25-16)14-3-4-14/h9-11,14,19H,3-8H2,1-2H3.
What are the key properties of 7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 399.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 154829283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).