N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H31F2N7O2 — CID 163936327

IUPACN-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC1C=Nc2c(C(=O)Nc3cc4c(cc3N3CCN(CC(F)F)CC3)OC(C)(C)C4)cnn2C1
InChIInChI=1S/C24H31F2N7O2/c1-24(2)10-15-8-18(30-23(34)17-12-29-33-13-16(27-3)11-28-22(17)33)19(9-20(15)35-24)32-6-4-31(5-7-32)14-21(25)26/h8-9,11-12,16,21,27H,4-7,10,13-14H2,1-3H3,(H,30,34)
InChIKeyRNDOZNMHENPLTR-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.54
Rot. Bonds6

About N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 163936327) has the molecular formula C24H31F2N7O2 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID163936327
Molecular FormulaC24H31F2N7O2
Molecular Weight487.56 g/mol
Exact Mass487.25
IUPAC NameN-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC1C=Nc2c(C(=O)Nc3cc4c(cc3N3CCN(CC(F)F)CC3)OC(C)(C)C4)cnn2C1
InChIInChI=1S/C24H31F2N7O2/c1-24(2)10-15-8-18(30-23(34)17-12-29-33-13-16(27-3)11-28-22(17)33)19(9-20(15)35-24)32-6-4-31(5-7-32)14-21(25)26/h8-9,11-12,16,21,27H,4-7,10,13-14H2,1-3H3,(H,30,34)
InChIKeyRNDOZNMHENPLTR-UHFFFAOYSA-N
XLogP2.54
TPSA87.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163936327) is N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC1C=Nc2c(C(=O)Nc3cc4c(cc3N3CCN(CC(F)F)CC3)OC(C)(C)C4)cnn2C1.
What is the InChIKey of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RNDOZNMHENPLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N7O2/c1-24(2)10-15-8-18(30-23(34)17-12-29-33-13-16(27-3)11-28-22(17)33)19(9-20(15)35-24)32-6-4-31(5-7-32)14-21(25)26/h8-9,11-12,16,21,27H,4-7,10,13-14H2,1-3H3,(H,30,34).
What are the key properties of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]-6-(methylamino)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163936327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).