1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

C35H31FN8O — CID 137111099

IUPAC1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)c1
InChIInChI=1S/C35H31FN8O/c1-44(2)19-30(37)23-10-22(11-25(36)12-23)27-8-9-39-35-28(27)14-32(41-35)34-29-15-31(40-18-33(29)42-43-34)24-13-26(17-38-16-24)45-20-21-6-4-3-5-7-21/h3-18,30H,19-20,37H2,1-2H3,(H,39,41)(H,42,43)
InChIKeyMRFUETFEXMQVQX-UHFFFAOYSA-N
MW598.69 g/mol
LogP6.51
Rot. Bonds9

About 1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 137111099) has the molecular formula C35H31FN8O and a molecular weight of 598.69 g/mol. Its IUPAC name is 1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID137111099
Molecular FormulaC35H31FN8O
Molecular Weight598.69 g/mol
Exact Mass598.26
IUPAC Name1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)c1
InChIInChI=1S/C35H31FN8O/c1-44(2)19-30(37)23-10-22(11-25(36)12-23)27-8-9-39-35-28(27)14-32(41-35)34-29-15-31(40-18-33(29)42-43-34)24-13-26(17-38-16-24)45-20-21-6-4-3-5-7-21/h3-18,30H,19-20,37H2,1-2H3,(H,39,41)(H,42,43)
InChIKeyMRFUETFEXMQVQX-UHFFFAOYSA-N
XLogP6.51
TPSA121.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.69
LogP ≤ 56.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136938226
1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137114041
2-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137038823
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 138603433
2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 138603485
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 138603098
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 138603232
1-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 138603109
3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
CID 137113808
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 137111105
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 138603116
1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone
CID 138603678

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 137111099) is 1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CC(N)c1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)c1.
What is the InChIKey of 1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is MRFUETFEXMQVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31FN8O/c1-44(2)19-30(37)23-10-22(11-25(36)12-23)27-8-9-39-35-28(27)14-32(41-35)34-29-15-31(40-18-33(29)42-43-34)24-13-26(17-38-16-24)45-20-21-6-4-3-5-7-21/h3-18,30H,19-20,37H2,1-2H3,(H,39,41)(H,42,43).
What are the key properties of 1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 598.69 g/mol, XLogP of 6.51, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 137111099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).