3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide

C22H28N4O2 — CID 91509937

IUPAC3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(C)cn(CC(C)C(N)=O)c2cc1C
InChIInChI=1S/C22H28N4O2/c1-12(2)17-8-7-16(22(24-17)28-6)19-13(3)9-18-20(25-19)14(4)10-26(18)11-15(5)21(23)27/h7-10,12,15H,11H2,1-6H3,(H2,23,27)
InChIKeyYVLPUXVDIPUNMG-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.97
Rot. Bonds6

About 3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide

3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide (PubChem CID 91509937) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide
PubChem CID91509937
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(C)cn(CC(C)C(N)=O)c2cc1C
InChIInChI=1S/C22H28N4O2/c1-12(2)17-8-7-16(22(24-17)28-6)19-13(3)9-18-20(25-19)14(4)10-26(18)11-15(5)21(23)27/h7-10,12,15H,11H2,1-6H3,(H2,23,27)
InChIKeyYVLPUXVDIPUNMG-UHFFFAOYSA-N
XLogP3.97
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide?
The IUPAC name of 3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide (CID 91509937) is 3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide?
The canonical SMILES for 3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide is COc1nc(C(C)C)ccc1-c1nc2c(C)cn(CC(C)C(N)=O)c2cc1C.
What is the InChIKey of 3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide?
The InChIKey is YVLPUXVDIPUNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-12(2)17-8-7-16(22(24-17)28-6)19-13(3)9-18-20(25-19)14(4)10-26(18)11-15(5)21(23)27/h7-10,12,15H,11H2,1-6H3,(H2,23,27).
What are the key properties of 3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide?
3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 91509937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).