methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

C24H34N6O4 — CID 45159206

IUPACmethyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(NC(C)CCn3cccn3)cnc21
InChIInChI=1S/C24H34N6O4/c1-16(2)13-20(31)28-21-19-14-18(27-17(3)7-10-29-9-6-8-26-29)15-25-23(19)30(11-12-33-4)22(21)24(32)34-5/h6,8-9,14-17,27H,7,10-13H2,1-5H3,(H,28,31)
InChIKeyQWYBWOAKHMEKJF-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.54
Rot. Bonds12

About methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 45159206) has the molecular formula C24H34N6O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID45159206
Molecular FormulaC24H34N6O4
Molecular Weight470.57 g/mol
Exact Mass470.26
IUPAC Namemethyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(NC(C)CCn3cccn3)cnc21
InChIInChI=1S/C24H34N6O4/c1-16(2)13-20(31)28-21-19-14-18(27-17(3)7-10-29-9-6-8-26-29)15-25-23(19)30(11-12-33-4)22(21)24(32)34-5/h6,8-9,14-17,27H,7,10-13H2,1-5H3,(H,28,31)
InChIKeyQWYBWOAKHMEKJF-UHFFFAOYSA-N
XLogP3.54
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate 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 methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate (CID 45159206) is methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate is COCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(NC(C)CCn3cccn3)cnc21.
What is the InChIKey of methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is QWYBWOAKHMEKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O4/c1-16(2)13-20(31)28-21-19-14-18(27-17(3)7-10-29-9-6-8-26-29)15-25-23(19)30(11-12-33-4)22(21)24(32)34-5/h6,8-9,14-17,27H,7,10-13H2,1-5H3,(H,28,31).
What are the key properties of methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 470.57 g/mol, XLogP of 3.54, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethyl)-3-(3-methylbutanoylamino)-5-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 45159206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).