N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide

C23H19F3N6O3 — CID 162359061

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCC(C)(NC(=O)c1cnc2c(-c3cccc(OC(F)F)c3)cn(-c3ncc(F)cn3)c2c1)C(N)=O
InChIInChI=1S/C23H19F3N6O3/c1-23(2,20(27)34)31-19(33)13-7-17-18(28-8-13)16(11-32(17)22-29-9-14(24)10-30-22)12-4-3-5-15(6-12)35-21(25)26/h3-11,21H,1-2H3,(H2,27,34)(H,31,33)
InChIKeyZVEQPGFWGVLDQP-UHFFFAOYSA-N
MW484.44 g/mol
LogP3.22
Rot. Bonds7

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 162359061) has the molecular formula C23H19F3N6O3 and a molecular weight of 484.44 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide
PubChem CID162359061
Molecular FormulaC23H19F3N6O3
Molecular Weight484.44 g/mol
Exact Mass484.15
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCC(C)(NC(=O)c1cnc2c(-c3cccc(OC(F)F)c3)cn(-c3ncc(F)cn3)c2c1)C(N)=O
InChIInChI=1S/C23H19F3N6O3/c1-23(2,20(27)34)31-19(33)13-7-17-18(28-8-13)16(11-32(17)22-29-9-14(24)10-30-22)12-4-3-5-15(6-12)35-21(25)26/h3-11,21H,1-2H3,(H2,27,34)(H,31,33)
InChIKeyZVEQPGFWGVLDQP-UHFFFAOYSA-N
XLogP3.22
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide 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-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide (CID 162359061) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide is CC(C)(NC(=O)c1cnc2c(-c3cccc(OC(F)F)c3)cn(-c3ncc(F)cn3)c2c1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide?
The InChIKey is ZVEQPGFWGVLDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O3/c1-23(2,20(27)34)31-19(33)13-7-17-18(28-8-13)16(11-32(17)22-29-9-14(24)10-30-22)12-4-3-5-15(6-12)35-21(25)26/h3-11,21H,1-2H3,(H2,27,34)(H,31,33).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 484.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-[3-(difluoromethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).