N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide

C22H26F2N8O — CID 170730264

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide
SMILESCCN1CCn2nc(-c3cnc(NC(C)=O)cc3Nc3cc(C)nc(C(C)(F)F)n3)cc2C1
InChIInChI=1S/C22H26F2N8O/c1-5-31-6-7-32-15(12-31)9-18(30-32)16-11-25-19(27-14(3)33)10-17(16)28-20-8-13(2)26-21(29-20)22(4,23)24/h8-11H,5-7,12H2,1-4H3,(H2,25,26,27,28,29,33)
InChIKeySUDSUIUXQUDBTH-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.69
Rot. Bonds6

About N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide (PubChem CID 170730264) has the molecular formula C22H26F2N8O and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide
PubChem CID170730264
Molecular FormulaC22H26F2N8O
Molecular Weight456.50 g/mol
Exact Mass456.22
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide
SMILESCCN1CCn2nc(-c3cnc(NC(C)=O)cc3Nc3cc(C)nc(C(C)(F)F)n3)cc2C1
InChIInChI=1S/C22H26F2N8O/c1-5-31-6-7-32-15(12-31)9-18(30-32)16-11-25-19(27-14(3)33)10-17(16)28-20-8-13(2)26-21(29-20)22(4,23)24/h8-11H,5-7,12H2,1-4H3,(H2,25,26,27,28,29,33)
InChIKeySUDSUIUXQUDBTH-UHFFFAOYSA-N
XLogP3.69
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide (CID 170730264) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide is CCN1CCn2nc(-c3cnc(NC(C)=O)cc3Nc3cc(C)nc(C(C)(F)F)n3)cc2C1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is SUDSUIUXQUDBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N8O/c1-5-31-6-7-32-15(12-31)9-18(30-32)16-11-25-19(27-14(3)33)10-17(16)28-20-8-13(2)26-21(29-20)22(4,23)24/h8-11H,5-7,12H2,1-4H3,(H2,25,26,27,28,29,33).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 456.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170730264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).