N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

C20H18FN5O — CID 134807016

IUPACN-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCn1cc(-c2cnc3[nH]cc(CC(=O)NCc4cccc(F)c4)c3c2)cn1
InChIInChI=1S/C20H18FN5O/c1-26-12-16(11-25-26)14-6-18-15(10-24-20(18)23-9-14)7-19(27)22-8-13-3-2-4-17(21)5-13/h2-6,9-12H,7-8H2,1H3,(H,22,27)(H,23,24)
InChIKeyWCSXVGBOHIXFQW-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.96
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 134807016) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
PubChem CID134807016
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCn1cc(-c2cnc3[nH]cc(CC(=O)NCc4cccc(F)c4)c3c2)cn1
InChIInChI=1S/C20H18FN5O/c1-26-12-16(11-25-26)14-6-18-15(10-24-20(18)23-9-14)7-19(27)22-8-13-3-2-4-17(21)5-13/h2-6,9-12H,7-8H2,1H3,(H,22,27)(H,23,24)
InChIKeyWCSXVGBOHIXFQW-UHFFFAOYSA-N
XLogP2.96
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (CID 134807016) is N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is Cn1cc(-c2cnc3[nH]cc(CC(=O)NCc4cccc(F)c4)c3c2)cn1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is WCSXVGBOHIXFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-26-12-16(11-25-26)14-6-18-15(10-24-20(18)23-9-14)7-19(27)22-8-13-3-2-4-17(21)5-13/h2-6,9-12H,7-8H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 363.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 134807016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).