N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide

C25H23F2N5O5S — CID 164755100

IUPACN-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1c(-c2ccc(C3CC3)cn2)nn2c1C(=O)N[C@@]1(CCOc3cc(F)cc(F)c31)C2
InChIInChI=1S/C25H23F2N5O5S/c1-38(35,36)11-19(33)29-22-21(17-5-4-14(10-28-17)13-2-3-13)31-32-12-25(30-24(34)23(22)32)6-7-37-18-9-15(26)8-16(27)20(18)25/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,29,33)(H,30,34)/t25-/m0/s1
InChIKeyPRARTXLXKHTXHT-VWLOTQADSA-N
MW543.55 g/mol
LogP2.51
Rot. Bonds5

About N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide

N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide (PubChem CID 164755100) has the molecular formula C25H23F2N5O5S and a molecular weight of 543.55 g/mol. Its IUPAC name is N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide
PubChem CID164755100
Molecular FormulaC25H23F2N5O5S
Molecular Weight543.55 g/mol
Exact Mass543.14
IUPAC NameN-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1c(-c2ccc(C3CC3)cn2)nn2c1C(=O)N[C@@]1(CCOc3cc(F)cc(F)c31)C2
InChIInChI=1S/C25H23F2N5O5S/c1-38(35,36)11-19(33)29-22-21(17-5-4-14(10-28-17)13-2-3-13)31-32-12-25(30-24(34)23(22)32)6-7-37-18-9-15(26)8-16(27)20(18)25/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,29,33)(H,30,34)/t25-/m0/s1
InChIKeyPRARTXLXKHTXHT-VWLOTQADSA-N
XLogP2.51
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.55
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide (CID 164755100) is N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1c(-c2ccc(C3CC3)cn2)nn2c1C(=O)N[C@@]1(CCOc3cc(F)cc(F)c31)C2.
What is the InChIKey of N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide?
The InChIKey is PRARTXLXKHTXHT-VWLOTQADSA-N. The full InChI is InChI=1S/C25H23F2N5O5S/c1-38(35,36)11-19(33)29-22-21(17-5-4-14(10-28-17)13-2-3-13)31-32-12-25(30-24(34)23(22)32)6-7-37-18-9-15(26)8-16(27)20(18)25/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,29,33)(H,30,34)/t25-/m0/s1.
What are the key properties of N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide?
N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide has a molecular weight of 543.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2'-(5-cyclopropyl-2-pyridinyl)-5,7-difluoro-4'-oxospiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[1,5-a]pyrazine]-3'-yl]-2-methylsulfonylacetamide is sourced from PubChem (CID 164755100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).