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

C24H22FN5O3 — CID 118341227

IUPAC2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnccc21
InChIInChI=1S/C24H22FN5O3/c1-24(2,14-31)30-13-20(19-12-26-6-5-21(19)30)23(33)15-7-18(11-27-9-15)29-22(32)8-17-4-3-16(25)10-28-17/h3-7,9-13,31H,8,14H2,1-2H3,(H,29,32)
InChIKeyHEWWOJXVYDRQSY-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.11
Rot. Bonds7

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

2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide (PubChem CID 118341227) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
PubChem CID118341227
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnccc21
InChIInChI=1S/C24H22FN5O3/c1-24(2,14-31)30-13-20(19-12-26-6-5-21(19)30)23(33)15-7-18(11-27-9-15)29-22(32)8-17-4-3-16(25)10-28-17/h3-7,9-13,31H,8,14H2,1-2H3,(H,29,32)
InChIKeyHEWWOJXVYDRQSY-UHFFFAOYSA-N
XLogP3.11
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide (CID 118341227) is 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide is CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnccc21.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
The InChIKey is HEWWOJXVYDRQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-24(2,14-31)30-13-20(19-12-26-6-5-21(19)30)23(33)15-7-18(11-27-9-15)29-22(32)8-17-4-3-16(25)10-28-17/h3-7,9-13,31H,8,14H2,1-2H3,(H,29,32).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide?
2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide has a molecular weight of 447.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 118341227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).