[5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C38H33F2N9O4 — CID 123552913

IUPAC[5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1cccnc1C(=O)N1CCn2nc(COc3ccc(-c4cnc(C(=O)N5CCn6nc(COc7cccc(F)c7)cc6C5)cn4)c(F)c3)cc2C1
InChIInChI=1S/C38H33F2N9O4/c1-24-4-3-9-41-36(24)38(51)47-11-13-49-29(21-47)16-27(45-49)23-53-31-7-8-32(33(40)17-31)34-18-43-35(19-42-34)37(50)46-10-12-48-28(20-46)15-26(44-48)22-52-30-6-2-5-25(39)14-30/h2-9,14-19H,10-13,20-23H2,1H3
InChIKeyZAYBJSCQFBHQQZ-UHFFFAOYSA-N
MW717.74 g/mol
LogP4.99
Rot. Bonds9

About [5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

[5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 123552913) has the molecular formula C38H33F2N9O4 and a molecular weight of 717.74 g/mol. Its IUPAC name is [5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name[5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID123552913
Molecular FormulaC38H33F2N9O4
Molecular Weight717.74 g/mol
Exact Mass717.26
IUPAC Name[5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1cccnc1C(=O)N1CCn2nc(COc3ccc(-c4cnc(C(=O)N5CCn6nc(COc7cccc(F)c7)cc6C5)cn4)c(F)c3)cc2C1
InChIInChI=1S/C38H33F2N9O4/c1-24-4-3-9-41-36(24)38(51)47-11-13-49-29(21-47)16-27(45-49)23-53-31-7-8-32(33(40)17-31)34-18-43-35(19-42-34)37(50)46-10-12-48-28(20-46)15-26(44-48)22-52-30-6-2-5-25(39)14-30/h2-9,14-19H,10-13,20-23H2,1H3
InChIKeyZAYBJSCQFBHQQZ-UHFFFAOYSA-N
XLogP4.99
TPSA133.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.74
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone with MolForge

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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57393628
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57402366
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-[2-[2-[2-[2-[[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57398875
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-[2-[2-[2-[2-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57402787
US9611262, Example 160
CID 118940698
US9611262, Example 159
CID 118940700
US11597728, Example 334
CID 146455278
US11597728, Example 94
CID 168058529
5-[[5-methyl-4-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]triazol-1-yl]methyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 171616736
N-(4-fluorophenyl)-5-[[4-methyl-5-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]triazol-1-yl]methyl]pyridine-2-carboxamide
CID 171616738
N-(4-fluorophenyl)-5-[[5-methyl-4-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]triazol-1-yl]methyl]pyridine-2-carboxamide
CID 171616761
5-[[4-methyl-5-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]triazol-1-yl]methyl]-N-phenylpyridine-2-carboxamide
CID 171616762

Frequently Asked Questions

What is the IUPAC name of [5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of [5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 123552913) is [5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for [5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for [5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is Cc1cccnc1C(=O)N1CCn2nc(COc3ccc(-c4cnc(C(=O)N5CCn6nc(COc7cccc(F)c7)cc6C5)cn4)c(F)c3)cc2C1.
What is the InChIKey of [5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is ZAYBJSCQFBHQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33F2N9O4/c1-24-4-3-9-41-36(24)38(51)47-11-13-49-29(21-47)16-27(45-49)23-53-31-7-8-32(33(40)17-31)34-18-43-35(19-42-34)37(50)46-10-12-48-28(20-46)15-26(44-48)22-52-30-6-2-5-25(39)14-30/h2-9,14-19H,10-13,20-23H2,1H3.
What are the key properties of [5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
[5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 717.74 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-fluoro-4-[[5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]pyrazin-2-yl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 123552913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).