N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane

C23H22FN3O — CID 162248609

IUPACN-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane
SMILESC.CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cc4ccccc4F)c3c2)c1
InChIInChI=1S/C22H18FN3O.CH4/c1-14(27)26-19-7-4-6-15(10-19)17-11-20-18(13-25-22(20)24-12-17)9-16-5-2-3-8-21(16)23;/h2-8,10-13H,9H2,1H3,(H,24,25)(H,26,27);1H4
InChIKeyZXRIQLKLQRTACV-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.55
Rot. Bonds4

About N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane

N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane (PubChem CID 162248609) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane.

Molecular Properties

Compound NameN-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane
PubChem CID162248609
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC NameN-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane
SMILESC.CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cc4ccccc4F)c3c2)c1
InChIInChI=1S/C22H18FN3O.CH4/c1-14(27)26-19-7-4-6-15(10-19)17-11-20-18(13-25-22(20)24-12-17)9-16-5-2-3-8-21(16)23;/h2-8,10-13H,9H2,1H3,(H,24,25)(H,26,27);1H4
InChIKeyZXRIQLKLQRTACV-UHFFFAOYSA-N
XLogP5.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane?
The IUPAC name of N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane (CID 162248609) is N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane.
What is the SMILES notation for N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane?
The canonical SMILES for N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane is C.CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cc4ccccc4F)c3c2)c1.
What is the InChIKey of N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane?
The InChIKey is ZXRIQLKLQRTACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O.CH4/c1-14(27)26-19-7-4-6-15(10-19)17-11-20-18(13-25-22(20)24-12-17)9-16-5-2-3-8-21(16)23;/h2-8,10-13H,9H2,1H3,(H,24,25)(H,26,27);1H4.
What are the key properties of N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane?
N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane has a molecular weight of 375.45 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane is sourced from PubChem (CID 162248609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).