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

C30H28FN7O — CID 137280715

IUPACN-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(F)cc(NCCN(C)C)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H28FN7O/c1-38(2)8-7-33-22-10-18(9-21(31)13-22)24-5-4-6-27-25(24)14-28(35-27)29-26-12-20(16-34-30(26)37-36-29)19-11-23(39-3)17-32-15-19/h4-6,9-17,33,35H,7-8H2,1-3H3,(H,34,36,37)
InChIKeyFIUHTGVDRRZUFV-UHFFFAOYSA-N
MW521.60 g/mol
LogP5.96
Rot. Bonds8

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

N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 137280715) has the molecular formula C30H28FN7O and a molecular weight of 521.60 g/mol. Its IUPAC name is N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID137280715
Molecular FormulaC30H28FN7O
Molecular Weight521.60 g/mol
Exact Mass521.23
IUPAC NameN-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(F)cc(NCCN(C)C)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H28FN7O/c1-38(2)8-7-33-22-10-18(9-21(31)13-22)24-5-4-6-27-25(24)14-28(35-27)29-26-12-20(16-34-30(26)37-36-29)19-11-23(39-3)17-32-15-19/h4-6,9-17,33,35H,7-8H2,1-3H3,(H,34,36,37)
InChIKeyFIUHTGVDRRZUFV-UHFFFAOYSA-N
XLogP5.96
TPSA94.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.60
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137280778
N-[3-fluoro-5-[2-[5-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137087698
2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137040730
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137041501
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 137280821
3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenol
CID 137041808
N-[3-fluoro-5-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137310742
N-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137040681
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 138604434
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137284154
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137284122
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 138604422

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 137280715) is N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is COc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cc(F)cc(NCCN(C)C)c6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is FIUHTGVDRRZUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN7O/c1-38(2)8-7-33-22-10-18(9-21(31)13-22)24-5-4-6-27-25(24)14-28(35-27)29-26-12-20(16-34-30(26)37-36-29)19-11-23(39-3)17-32-15-19/h4-6,9-17,33,35H,7-8H2,1-3H3,(H,34,36,37).
What are the key properties of N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 521.60 g/mol, XLogP of 5.96, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 137280715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).