N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C27H28F2N4O3 — CID 58526621

IUPACN-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)Oc1nc2c(cc1O)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccn1
InChIInChI=1S/C27H28F2N4O3/c1-15(2)24-23(26(35)31-13-17-8-9-20(28)21(29)11-17)19-12-22(34)27(36-16(3)4)32-25(19)33(24)14-18-7-5-6-10-30-18/h5-12,15-16,34H,13-14H2,1-4H3,(H,31,35)
InChIKeyYGHKSXUKRWTKFL-UHFFFAOYSA-N
MW494.54 g/mol
LogP5.30
Rot. Bonds8

About N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 58526621) has the molecular formula C27H28F2N4O3 and a molecular weight of 494.54 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID58526621
Molecular FormulaC27H28F2N4O3
Molecular Weight494.54 g/mol
Exact Mass494.21
IUPAC NameN-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)Oc1nc2c(cc1O)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccn1
InChIInChI=1S/C27H28F2N4O3/c1-15(2)24-23(26(35)31-13-17-8-9-20(28)21(29)11-17)19-12-22(34)27(36-16(3)4)32-25(19)33(24)14-18-7-5-6-10-30-18/h5-12,15-16,34H,13-14H2,1-4H3,(H,31,35)
InChIKeyYGHKSXUKRWTKFL-UHFFFAOYSA-N
XLogP5.30
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.54
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 58526621) is N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)Oc1nc2c(cc1O)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccn1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is YGHKSXUKRWTKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O3/c1-15(2)24-23(26(35)31-13-17-8-9-20(28)21(29)11-17)19-12-22(34)27(36-16(3)4)32-25(19)33(24)14-18-7-5-6-10-30-18/h5-12,15-16,34H,13-14H2,1-4H3,(H,31,35).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 58526621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).