4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one

C44H28F4N10O2 — CID 123422291

IUPAC4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one
SMILESCn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5c(Cn6cc7c(-c8cc(F)c(Cn9c(=O)cnc%10ccncc%109)c(F)c8)cccc7n6)cncc54)c(F)c3)ccc2n1
InChIInChI=1S/C44H28F4N10O2/c1-55-19-27-9-24(5-6-37(27)53-55)25-10-33(45)32(34(46)11-25)23-58-41-16-50-14-28(44(41)52-18-43(58)60)20-56-21-30-29(3-2-4-38(30)54-56)26-12-35(47)31(36(48)13-26)22-57-40-15-49-8-7-39(40)51-17-42(57)59/h2-19,21H,20,22-23H2,1H3
InChIKeyMENWGFVTZCDCKP-UHFFFAOYSA-N
MW804.77 g/mol
LogP7.17
Rot. Bonds8

About 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one

4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one (PubChem CID 123422291) has the molecular formula C44H28F4N10O2 and a molecular weight of 804.77 g/mol. Its IUPAC name is 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one
PubChem CID123422291
Molecular FormulaC44H28F4N10O2
Molecular Weight804.77 g/mol
Exact Mass804.23
IUPAC Name4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one
SMILESCn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5c(Cn6cc7c(-c8cc(F)c(Cn9c(=O)cnc%10ccncc%109)c(F)c8)cccc7n6)cncc54)c(F)c3)ccc2n1
InChIInChI=1S/C44H28F4N10O2/c1-55-19-27-9-24(5-6-37(27)53-55)25-10-33(45)32(34(46)11-25)23-58-41-16-50-14-28(44(41)52-18-43(58)60)20-56-21-30-29(3-2-4-38(30)54-56)26-12-35(47)31(36(48)13-26)22-57-40-15-49-8-7-39(40)51-17-42(57)59/h2-19,21H,20,22-23H2,1H3
InChIKeyMENWGFVTZCDCKP-UHFFFAOYSA-N
XLogP7.17
TPSA131.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500804.77
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one with MolForge

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Related Compounds

N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
N-cyclohexyl-2-[3-(3,4-dimethylphenyl)-8-fluoro-1H-pyrazolo[4,3-c]quinolin-1-yl]acetamide
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2-[4-[8-Fluoro-9-(1-methylpyrazol-4-yl)-2-oxopyrazino[2,3-c]quinolin-1-yl]piperidin-1-yl]acetonitrile
CID 137647241
2-[4-[9-[1-(Difluoromethyl)pyrazol-4-yl]-8-fluoro-2-oxopyrazino[2,3-c]quinolin-1-yl]piperidin-1-yl]acetonitrile
CID 137655398
6-(Difluoromethyl)-4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline
CID 155536704
1-(2,6-Difluoro-4-(2-methyl-2H-indazol-4-yl)benzyl)quinoxalin-2(1 h)-one
CID 86298474
1-[[2,6-Difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one
CID 117686764
3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 118101792
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137088117
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137113826
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
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US11168082, Cpd. No. 69
CID 142474934

Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one (CID 123422291) is 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one is Cn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5c(Cn6cc7c(-c8cc(F)c(Cn9c(=O)cnc%10ccncc%109)c(F)c8)cccc7n6)cncc54)c(F)c3)ccc2n1.
What is the InChIKey of 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one?
The InChIKey is MENWGFVTZCDCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F4N10O2/c1-55-19-27-9-24(5-6-37(27)53-55)25-10-33(45)32(34(46)11-25)23-58-41-16-50-14-28(44(41)52-18-43(58)60)20-56-21-30-29(3-2-4-38(30)54-56)26-12-35(47)31(36(48)13-26)22-57-40-15-49-8-7-39(40)51-17-42(57)59/h2-19,21H,20,22-23H2,1H3.
What are the key properties of 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one?
4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one has a molecular weight of 804.77 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-8-[[4-[3,5-difluoro-4-[(3-oxopyrido[3,4-b]pyrazin-4-yl)methyl]phenyl]indazol-2-yl]methyl]pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 123422291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).