3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine

C34H36FN9 — CID 145037863

IUPAC3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C34H36FN9/c1-43(2)8-6-7-22-11-24(14-26(35)13-22)28-18-37-19-31-32(28)40-34(39-31)33-27-15-29(38-20-30(27)41-42-33)25-12-23(16-36-17-25)21-44-9-4-3-5-10-44/h11-20H,3-10,21H2,1-2H3,(H,39,40)(H,41,42)
InChIKeyILAAATSUTFEAIN-UHFFFAOYSA-N
MW589.72 g/mol
LogP6.24
Rot. Bonds9

About 3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine

3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 145037863) has the molecular formula C34H36FN9 and a molecular weight of 589.72 g/mol. Its IUPAC name is 3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine
PubChem CID145037863
Molecular FormulaC34H36FN9
Molecular Weight589.72 g/mol
Exact Mass589.31
IUPAC Name3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C34H36FN9/c1-43(2)8-6-7-22-11-24(14-26(35)13-22)28-18-37-19-31-32(28)40-34(39-31)33-27-15-29(38-20-30(27)41-42-33)25-12-23(16-36-17-25)21-44-9-4-3-5-10-44/h11-20H,3-10,21H2,1-2H3,(H,39,40)(H,41,42)
InChIKeyILAAATSUTFEAIN-UHFFFAOYSA-N
XLogP6.24
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.72
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

3-[7-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 145037228
ethane;ethene;3-[5-[3-[7-[3-fluoro-5-(methylaminomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine
CID 145037742
3-[3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine
CID 145037697
3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136946420
3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137057302
N-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136643408
1-[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136947565
3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine
CID 145035447
2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137311478
3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136947590
3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
CID 137174364
N-[[3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 136947650

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine (CID 145037863) is 3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1.
What is the InChIKey of 3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is ILAAATSUTFEAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FN9/c1-43(2)8-6-7-22-11-24(14-26(35)13-22)28-18-37-19-31-32(28)40-34(39-31)33-27-15-29(38-20-30(27)41-42-33)25-12-23(16-36-17-25)21-44-9-4-3-5-10-44/h11-20H,3-10,21H2,1-2H3,(H,39,40)(H,41,42).
What are the key properties of 3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine?
3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 589.72 g/mol, XLogP of 6.24, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 145037863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).