N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine

C42H59N15 — CID 167686460

IUPACN,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ccc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)ccnc21.CNc1ccnc2c1ncn2C(C)C
InChIInChI=1S/C12H17N3.C11H16N4.C10H14N4.C9H12N4/c1-9(2)15-8-6-10-11(14(3)4)5-7-13-12(10)15;1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-7(2)14-6-13-9-8(11-3)4-5-12-10(9)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13/h5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,11,12);3-6H,1-2H3,(H2,10,11)
InChIKeyWHEXXRPKDIWGJL-UHFFFAOYSA-N
MW774.04 g/mol
LogP8.41
Rot. Bonds7

About N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine

N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine (PubChem CID 167686460) has the molecular formula C42H59N15 and a molecular weight of 774.04 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine
PubChem CID167686460
Molecular FormulaC42H59N15
Molecular Weight774.04 g/mol
Exact Mass773.51
IUPAC NameN,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ccc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)ccnc21.CNc1ccnc2c1ncn2C(C)C
InChIInChI=1S/C12H17N3.C11H16N4.C10H14N4.C9H12N4/c1-9(2)15-8-6-10-11(14(3)4)5-7-13-12(10)15;1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-7(2)14-6-13-9-8(11-3)4-5-12-10(9)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13/h5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,11,12);3-6H,1-2H3,(H2,10,11)
InChIKeyWHEXXRPKDIWGJL-UHFFFAOYSA-N
XLogP8.41
TPSA154.48 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500774.04
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine (CID 167686460) is N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine is CC(C)n1ccc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)ccnc21.CNc1ccnc2c1ncn2C(C)C.
What is the InChIKey of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is WHEXXRPKDIWGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.C11H16N4.C10H14N4.C9H12N4/c1-9(2)15-8-6-10-11(14(3)4)5-7-13-12(10)15;1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-7(2)14-6-13-9-8(11-3)4-5-12-10(9)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13/h5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,11,12);3-6H,1-2H3,(H2,10,11).
What are the key properties of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 774.04 g/mol, XLogP of 8.41, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 167686460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).