4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide

C21H20F3N7O2 — CID 147599883

IUPAC4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1cnc(-c2cncc(C(F)(F)F)c2)cn1
InChIInChI=1S/C21H20F3N7O2/c1-13-7-19-30(5-2-6-31(19)29-13)20(33)4-3-18(32)28-17-12-26-16(11-27-17)14-8-15(10-25-9-14)21(22,23)24/h7-12H,2-6H2,1H3,(H,27,28,32)
InChIKeyFZXQGXQKBHSZBV-UHFFFAOYSA-N
MW459.43 g/mol
LogP3.22
Rot. Bonds5

About 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide

4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide (PubChem CID 147599883) has the molecular formula C21H20F3N7O2 and a molecular weight of 459.43 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide
PubChem CID147599883
Molecular FormulaC21H20F3N7O2
Molecular Weight459.43 g/mol
Exact Mass459.16
IUPAC Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1cnc(-c2cncc(C(F)(F)F)c2)cn1
InChIInChI=1S/C21H20F3N7O2/c1-13-7-19-30(5-2-6-31(19)29-13)20(33)4-3-18(32)28-17-12-26-16(11-27-17)14-8-15(10-25-9-14)21(22,23)24/h7-12H,2-6H2,1H3,(H,27,28,32)
InChIKeyFZXQGXQKBHSZBV-UHFFFAOYSA-N
XLogP3.22
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide?
The IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide (CID 147599883) is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1cnc(-c2cncc(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide?
The InChIKey is FZXQGXQKBHSZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O2/c1-13-7-19-30(5-2-6-31(19)29-13)20(33)4-3-18(32)28-17-12-26-16(11-27-17)14-8-15(10-25-9-14)21(22,23)24/h7-12H,2-6H2,1H3,(H,27,28,32).
What are the key properties of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide?
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide has a molecular weight of 459.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide is sourced from PubChem (CID 147599883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).