N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

C39H41N7 — CID 166672808

IUPACN-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
SMILESCc1c(Nc2nccc3cc(CN4CCCC4)cnc23)cccc1-c1cccc(C2=Nc3nc(CN4CCCC4)ccc3C2)c1C
InChIInChI=1S/C39H41N7/c1-26-32(9-7-11-34(26)36-22-30-13-14-31(42-38(30)44-36)25-46-19-5-6-20-46)33-10-8-12-35(27(33)2)43-39-37-29(15-16-40-39)21-28(23-41-37)24-45-17-3-4-18-45/h7-16,21,23H,3-6,17-20,22,24-25H2,1-2H3,(H,40,43)
InChIKeyYFKUMJWMZWMALA-UHFFFAOYSA-N
MW607.81 g/mol
LogP7.92
Rot. Bonds8

About N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine (PubChem CID 166672808) has the molecular formula C39H41N7 and a molecular weight of 607.81 g/mol. Its IUPAC name is N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine.

Molecular Properties

Compound NameN-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
PubChem CID166672808
Molecular FormulaC39H41N7
Molecular Weight607.81 g/mol
Exact Mass607.34
IUPAC NameN-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
SMILESCc1c(Nc2nccc3cc(CN4CCCC4)cnc23)cccc1-c1cccc(C2=Nc3nc(CN4CCCC4)ccc3C2)c1C
InChIInChI=1S/C39H41N7/c1-26-32(9-7-11-34(26)36-22-30-13-14-31(42-38(30)44-36)25-46-19-5-6-20-46)33-10-8-12-35(27(33)2)43-39-37-29(15-16-40-39)21-28(23-41-37)24-45-17-3-4-18-45/h7-16,21,23H,3-6,17-20,22,24-25H2,1-2H3,(H,40,43)
InChIKeyYFKUMJWMZWMALA-UHFFFAOYSA-N
XLogP7.92
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.81
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
The IUPAC name of N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine (CID 166672808) is N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine.
What is the SMILES notation for N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
The canonical SMILES for N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine is Cc1c(Nc2nccc3cc(CN4CCCC4)cnc23)cccc1-c1cccc(C2=Nc3nc(CN4CCCC4)ccc3C2)c1C.
What is the InChIKey of N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
The InChIKey is YFKUMJWMZWMALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N7/c1-26-32(9-7-11-34(26)36-22-30-13-14-31(42-38(30)44-36)25-46-19-5-6-20-46)33-10-8-12-35(27(33)2)43-39-37-29(15-16-40-39)21-28(23-41-37)24-45-17-3-4-18-45/h7-16,21,23H,3-6,17-20,22,24-25H2,1-2H3,(H,40,43).
What are the key properties of N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine has a molecular weight of 607.81 g/mol, XLogP of 7.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine is sourced from PubChem (CID 166672808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).