N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine

C33H34F3N9 — CID 137300369

IUPACN-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(C6C=C(CN7CCC(F)(F)C7)C=NC6)cc45)nc23)c1
InChIInChI=1S/C33H34F3N9/c1-44(2)8-6-39-25-11-22(10-24(34)13-25)27-16-38-17-29-30(27)41-32(40-29)31-26-12-21(3-4-28(26)42-43-31)23-9-20(14-37-15-23)18-45-7-5-33(35,36)19-45/h3-4,9-14,16-17,23,39H,5-8,15,18-19H2,1-2H3,(H,40,41)(H,42,43)
InChIKeyOYTYRSVUQREBEO-UHFFFAOYSA-N
MW613.69 g/mol
LogP5.72
Rot. Bonds9

About N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine

N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 137300369) has the molecular formula C33H34F3N9 and a molecular weight of 613.69 g/mol. Its IUPAC name is N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID137300369
Molecular FormulaC33H34F3N9
Molecular Weight613.69 g/mol
Exact Mass613.29
IUPAC NameN-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(C6C=C(CN7CCC(F)(F)C7)C=NC6)cc45)nc23)c1
InChIInChI=1S/C33H34F3N9/c1-44(2)8-6-39-25-11-22(10-24(34)13-25)27-16-38-17-29-30(27)41-32(40-29)31-26-12-21(3-4-28(26)42-43-31)23-9-20(14-37-15-23)18-45-7-5-33(35,36)19-45/h3-4,9-14,16-17,23,39H,5-8,15,18-19H2,1-2H3,(H,40,41)(H,42,43)
InChIKeyOYTYRSVUQREBEO-UHFFFAOYSA-N
XLogP5.72
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.69
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 136942453
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
N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 136936347
N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 136936753
N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 136942893
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
N-[3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;N-[3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 158766312
2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137311602
N-[3-[2-[5-[(2E,4E)-5-[(dimethylamino)methyl]hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137300319
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
N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 136947425
N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-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 137088207

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine (CID 137300369) is N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(C6C=C(CN7CCC(F)(F)C7)C=NC6)cc45)nc23)c1.
What is the InChIKey of N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is OYTYRSVUQREBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N9/c1-44(2)8-6-39-25-11-22(10-24(34)13-25)27-16-38-17-29-30(27)41-32(40-29)31-26-12-21(3-4-28(26)42-43-31)23-9-20(14-37-15-23)18-45-7-5-33(35,36)19-45/h3-4,9-14,16-17,23,39H,5-8,15,18-19H2,1-2H3,(H,40,41)(H,42,43).
What are the key properties of N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine?
N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 613.69 g/mol, XLogP of 5.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2,3-dihydropyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 137300369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).