N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide

C30H32FN7O3S — CID 176666486

IUPACN-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCC1CC(C)CN(c2cc(F)cc(-c3ccc4cnc(CNC(=O)c5cnc6c(c5)N(S(C)(=O)=O)CC6)cc4n3)n2)C1
InChIInChI=1S/C30H32FN7O3S/c1-18-8-19(2)17-37(16-18)29-11-22(31)10-27(36-29)24-5-4-20-13-32-23(12-26(20)35-24)15-34-30(39)21-9-28-25(33-14-21)6-7-38(28)42(3,40)41/h4-5,9-14,18-19H,6-8,15-17H2,1-3H3,(H,34,39)
InChIKeyDPGZVBCPGBLMGY-UHFFFAOYSA-N
MW589.70 g/mol
LogP3.96
Rot. Bonds6

About N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide

N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 176666486) has the molecular formula C30H32FN7O3S and a molecular weight of 589.70 g/mol. Its IUPAC name is N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide
PubChem CID176666486
Molecular FormulaC30H32FN7O3S
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC NameN-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCC1CC(C)CN(c2cc(F)cc(-c3ccc4cnc(CNC(=O)c5cnc6c(c5)N(S(C)(=O)=O)CC6)cc4n3)n2)C1
InChIInChI=1S/C30H32FN7O3S/c1-18-8-19(2)17-37(16-18)29-11-22(31)10-27(36-29)24-5-4-20-13-32-23(12-26(20)35-24)15-34-30(39)21-9-28-25(33-14-21)6-7-38(28)42(3,40)41/h4-5,9-14,18-19H,6-8,15-17H2,1-3H3,(H,34,39)
InChIKeyDPGZVBCPGBLMGY-UHFFFAOYSA-N
XLogP3.96
TPSA121.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.70
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide with MolForge

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Related Compounds

2-(2,6-Difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341404
2-[7-Fluoro-2-(pyridin-3-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89783370
2-(2-(ethyl(pyridin-3-yl)amino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783772
4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carboxamide
CID 9828452
4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-N-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carboxamide
CID 10029563
N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 134138985
6-(2-amino-4-pyridinyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-N-ethyl-1,5-naphthyridine-3-carboxamide
CID 156018757
2-(3-(tert-butylamino)-2-methylpyrido[3,4-b]pyrazin-5-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783359
2-(1,5-naphthyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683607
N-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]pyridin-3-yl]-1,1-difluoromethanesulfonamide
CID 118341328
2-(2,6-Difluorophenyl)-4-[[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341360
2-(2,6-Difluorophenyl)-4-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341368

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide (CID 176666486) is N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide is CC1CC(C)CN(c2cc(F)cc(-c3ccc4cnc(CNC(=O)c5cnc6c(c5)N(S(C)(=O)=O)CC6)cc4n3)n2)C1.
What is the InChIKey of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide?
The InChIKey is DPGZVBCPGBLMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O3S/c1-18-8-19(2)17-37(16-18)29-11-22(31)10-27(36-29)24-5-4-20-13-32-23(12-26(20)35-24)15-34-30(39)21-9-28-25(33-14-21)6-7-38(28)42(3,40)41/h4-5,9-14,18-19H,6-8,15-17H2,1-3H3,(H,34,39).
What are the key properties of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide?
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 589.70 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-1-methylsulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 176666486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).