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

C39H35F2N9O4 — CID 123173683

IUPAC[6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1cnc(C(=O)N2CCn3nc(COc4ccc(Cc5ccc(C(=O)N6CCn7nc(COc8cccc(F)c8)cc7C6)cn5)c(F)c4)cc3C2)cn1
InChIInChI=1S/C39H35F2N9O4/c1-25-18-44-37(20-42-25)39(52)48-10-12-50-33(22-48)16-31(46-50)24-54-35-8-6-26(36(41)17-35)13-29-7-5-27(19-43-29)38(51)47-9-11-49-32(21-47)15-30(45-49)23-53-34-4-2-3-28(40)14-34/h2-8,14-20H,9-13,21-24H2,1H3
InChIKeyGNMRMFJNARULKG-UHFFFAOYSA-N
MW731.76 g/mol
LogP4.91
Rot. Bonds10

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

[6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 123173683) has the molecular formula C39H35F2N9O4 and a molecular weight of 731.76 g/mol. Its IUPAC name is [6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name[6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID123173683
Molecular FormulaC39H35F2N9O4
Molecular Weight731.76 g/mol
Exact Mass731.28
IUPAC Name[6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1cnc(C(=O)N2CCn3nc(COc4ccc(Cc5ccc(C(=O)N6CCn7nc(COc8cccc(F)c8)cc7C6)cn5)c(F)c4)cc3C2)cn1
InChIInChI=1S/C39H35F2N9O4/c1-25-18-44-37(20-42-25)39(52)48-10-12-50-33(22-48)16-31(46-50)24-54-35-8-6-26(36(41)17-35)13-29-7-5-27(19-43-29)38(51)47-9-11-49-32(21-47)15-30(45-49)23-53-34-4-2-3-28(40)14-34/h2-8,14-20H,9-13,21-24H2,1H3
InChIKeyGNMRMFJNARULKG-UHFFFAOYSA-N
XLogP4.91
TPSA133.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.76
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[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
US11597728, Example 186
CID 148455204
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
3-[5-[7-[4-[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-7-oxoheptoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162670536
US11597728, Example 334
CID 146455278
US11597728, Example 41
CID 168058502
US11597728, Example 93
CID 168058528
US11597728, Example 94
CID 168058529
US11787810, Example 58
CID 162359371
[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 67968119

Frequently Asked Questions

What is the IUPAC name of [6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of [6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 123173683) is [6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for [6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for [6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is Cc1cnc(C(=O)N2CCn3nc(COc4ccc(Cc5ccc(C(=O)N6CCn7nc(COc8cccc(F)c8)cc7C6)cn5)c(F)c4)cc3C2)cn1.
What is the InChIKey of [6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is GNMRMFJNARULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35F2N9O4/c1-25-18-44-37(20-42-25)39(52)48-10-12-50-33(22-48)16-31(46-50)24-54-35-8-6-26(36(41)17-35)13-29-7-5-27(19-43-29)38(51)47-9-11-49-32(21-47)15-30(45-49)23-53-34-4-2-3-28(40)14-34/h2-8,14-20H,9-13,21-24H2,1H3.
What are the key properties of [6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
[6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 731.76 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-fluoro-4-[[5-(5-methylpyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]phenyl]methyl]-3-pyridinyl]-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 123173683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).