N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide

C24H21F2N5O3 — CID 118341238

IUPACN-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cncc(F)c21
InChIInChI=1S/C24H21F2N5O3/c1-24(2,13-32)31-12-19(18-10-28-11-20(26)22(18)31)23(34)14-5-17(9-27-7-14)30-21(33)6-16-4-3-15(25)8-29-16/h3-5,7-12,32H,6,13H2,1-2H3,(H,30,33)
InChIKeyLPIFLAKWEQUFMI-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.24
Rot. Bonds7

About N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide

N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide (PubChem CID 118341238) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide
PubChem CID118341238
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC NameN-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cncc(F)c21
InChIInChI=1S/C24H21F2N5O3/c1-24(2,13-32)31-12-19(18-10-28-11-20(26)22(18)31)23(34)14-5-17(9-27-7-14)30-21(33)6-16-4-3-15(25)8-29-16/h3-5,7-12,32H,6,13H2,1-2H3,(H,30,33)
InChIKeyLPIFLAKWEQUFMI-UHFFFAOYSA-N
XLogP3.24
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
The IUPAC name of N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide (CID 118341238) is N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide.
What is the SMILES notation for N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
The canonical SMILES for N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide is CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cncc(F)c21.
What is the InChIKey of N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
The InChIKey is LPIFLAKWEQUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-24(2,13-32)31-12-19(18-10-28-11-20(26)22(18)31)23(34)14-5-17(9-27-7-14)30-21(33)6-16-4-3-15(25)8-29-16/h3-5,7-12,32H,6,13H2,1-2H3,(H,30,33).
What are the key properties of N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide has a molecular weight of 465.46 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 118341238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).