N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide

C24H27FN6O2 — CID 176877371

IUPACN-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCN1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC(=O)CN4CCOCC4)c3)c2C1
InChIInChI=1S/C24H27FN6O2/c1-29-8-9-31-20(15-29)23(24(28-31)17-2-4-19(25)5-3-17)18-6-7-26-21(14-18)27-22(32)16-30-10-12-33-13-11-30/h2-7,14H,8-13,15-16H2,1H3,(H,26,27,32)
InChIKeyQUZWRESVPOASLS-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.47
Rot. Bonds5

About N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide

N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 176877371) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
PubChem CID176877371
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC NameN-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCN1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC(=O)CN4CCOCC4)c3)c2C1
InChIInChI=1S/C24H27FN6O2/c1-29-8-9-31-20(15-29)23(24(28-31)17-2-4-19(25)5-3-17)18-6-7-26-21(14-18)27-22(32)16-30-10-12-33-13-11-30/h2-7,14H,8-13,15-16H2,1H3,(H,26,27,32)
InChIKeyQUZWRESVPOASLS-UHFFFAOYSA-N
XLogP2.47
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide (CID 176877371) is N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide is CN1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC(=O)CN4CCOCC4)c3)c2C1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?
The InChIKey is QUZWRESVPOASLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-29-8-9-31-20(15-29)23(24(28-31)17-2-4-19(25)5-3-17)18-6-7-26-21(14-18)27-22(32)16-30-10-12-33-13-11-30/h2-7,14H,8-13,15-16H2,1H3,(H,26,27,32).
What are the key properties of N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?
N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 450.52 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 176877371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).