N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine

C24H30N6O2 — CID 91457917

IUPACN-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine
SMILESCOc1nc2c(-c3cc4c(CNC5CCN(C)CC5)ccnc4[nH]3)c[nH]c2c(C)c1OC
InChIInChI=1S/C24H30N6O2/c1-14-20-21(29-24(32-4)22(14)31-3)18(13-27-20)19-11-17-15(5-8-25-23(17)28-19)12-26-16-6-9-30(2)10-7-16/h5,8,11,13,16,26-27H,6-7,9-10,12H2,1-4H3,(H,25,28)
InChIKeyHLROFMCVOSLRRS-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.62
Rot. Bonds6

About N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine

N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine (PubChem CID 91457917) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine
PubChem CID91457917
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine
SMILESCOc1nc2c(-c3cc4c(CNC5CCN(C)CC5)ccnc4[nH]3)c[nH]c2c(C)c1OC
InChIInChI=1S/C24H30N6O2/c1-14-20-21(29-24(32-4)22(14)31-3)18(13-27-20)19-11-17-15(5-8-25-23(17)28-19)12-26-16-6-9-30(2)10-7-16/h5,8,11,13,16,26-27H,6-7,9-10,12H2,1-4H3,(H,25,28)
InChIKeyHLROFMCVOSLRRS-UHFFFAOYSA-N
XLogP3.62
TPSA91.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine (CID 91457917) is N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine is COc1nc2c(-c3cc4c(CNC5CCN(C)CC5)ccnc4[nH]3)c[nH]c2c(C)c1OC.
What is the InChIKey of N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is HLROFMCVOSLRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-14-20-21(29-24(32-4)22(14)31-3)18(13-27-20)19-11-17-15(5-8-25-23(17)28-19)12-26-16-6-9-30(2)10-7-16/h5,8,11,13,16,26-27H,6-7,9-10,12H2,1-4H3,(H,25,28).
What are the key properties of N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine?
N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 434.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5,6-dimethoxy-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 91457917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).