N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine

C25H25N7O — CID 158646494

IUPACN-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cc3cccc(C)n3)nc3c2N=C(C)C3)cccc1-c1ncnn1C
InChIInChI=1S/C25H25N7O/c1-15-7-5-8-17(28-15)12-18-13-22(23-21(30-18)11-16(2)29-23)31-20-10-6-9-19(24(20)33-4)25-26-14-27-32(25)3/h5-10,13-14H,11-12H2,1-4H3,(H,30,31)
InChIKeyNRFVYYVDDDWKOM-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.57
Rot. Bonds6

About N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine

N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine (PubChem CID 158646494) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine
PubChem CID158646494
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC NameN-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cc3cccc(C)n3)nc3c2N=C(C)C3)cccc1-c1ncnn1C
InChIInChI=1S/C25H25N7O/c1-15-7-5-8-17(28-15)12-18-13-22(23-21(30-18)11-16(2)29-23)31-20-10-6-9-19(24(20)33-4)25-26-14-27-32(25)3/h5-10,13-14H,11-12H2,1-4H3,(H,30,31)
InChIKeyNRFVYYVDDDWKOM-UHFFFAOYSA-N
XLogP4.57
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine?
The IUPAC name of N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine (CID 158646494) is N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine is COc1c(Nc2cc(Cc3cccc(C)n3)nc3c2N=C(C)C3)cccc1-c1ncnn1C.
What is the InChIKey of N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine?
The InChIKey is NRFVYYVDDDWKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-15-7-5-8-17(28-15)12-18-13-22(23-21(30-18)11-16(2)29-23)31-20-10-6-9-19(24(20)33-4)25-26-14-27-32(25)3/h5-10,13-14H,11-12H2,1-4H3,(H,30,31).
What are the key properties of N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine?
N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine has a molecular weight of 439.52 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 158646494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).