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

C28H29FN8 — CID 145037697

IUPAC3-[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
SMILESCN(C)CCCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(C6=CCNCC6)cc45)nc23)c1
InChIInChI=1S/C28H29FN8/c1-37(2)9-3-4-17-10-19(12-20(29)11-17)22-14-31-15-25-26(22)34-28(33-25)27-21-13-23(18-5-7-30-8-6-18)32-16-24(21)35-36-27/h5,10-16,30H,3-4,6-9H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyHSJYWHMMDBPMCR-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.57
Rot. Bonds7

About 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

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 (PubChem CID 145037697) has the molecular formula C28H29FN8 and a molecular weight of 496.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID145037697
Molecular FormulaC28H29FN8
Molecular Weight496.59 g/mol
Exact Mass496.25
IUPAC Name3-[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
SMILESCN(C)CCCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(C6=CCNCC6)cc45)nc23)c1
InChIInChI=1S/C28H29FN8/c1-37(2)9-3-4-17-10-19(12-20(29)11-17)22-14-31-15-25-26(22)34-28(33-25)27-21-13-23(18-5-7-30-8-6-18)32-16-24(21)35-36-27/h5,10-16,30H,3-4,6-9H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyHSJYWHMMDBPMCR-UHFFFAOYSA-N
XLogP4.57
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
N-[3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137110375
2-[3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137116404
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-[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
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
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
N-[[3-fluoro-5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide
CID 137110063
3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136944220
N-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136946701
2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 136947456

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(C6=CCNCC6)cc45)nc23)c1.
What is the InChIKey of 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?
The InChIKey is HSJYWHMMDBPMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN8/c1-37(2)9-3-4-17-10-19(12-20(29)11-17)22-14-31-15-25-26(22)34-28(33-25)27-21-13-23(18-5-7-30-8-6-18)32-16-24(21)35-36-27/h5,10-16,30H,3-4,6-9H2,1-2H3,(H,33,34)(H,35,36).
What are the key properties of 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?
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 has a molecular weight of 496.59 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145037697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).