N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C20H16FN5O2 — CID 121411960

IUPACN-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3c(CO)ccnc3c2-c2ccc(F)nc2)ccn1
InChIInChI=1S/C20H16FN5O2/c1-11(28)25-16-8-12(4-6-22-16)18-17(13-2-3-15(21)24-9-13)20-19(26-18)14(10-27)5-7-23-20/h2-9,26-27H,10H2,1H3,(H,22,25,28)
InChIKeyYLAQUPTZBOTKBV-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.28
Rot. Bonds4

About N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121411960) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID121411960
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC NameN-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3c(CO)ccnc3c2-c2ccc(F)nc2)ccn1
InChIInChI=1S/C20H16FN5O2/c1-11(28)25-16-8-12(4-6-22-16)18-17(13-2-3-15(21)24-9-13)20-19(26-18)14(10-27)5-7-23-20/h2-9,26-27H,10H2,1H3,(H,22,25,28)
InChIKeyYLAQUPTZBOTKBV-UHFFFAOYSA-N
XLogP3.28
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411952
N-[4-[7-(hydroxymethyl)-3-(6-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411865
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride
CID 22987997
N-[4-[3-(2-methylpyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121431775
N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide
CID 67240144
N-[4-[7-(2-hydroxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411789
N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-(fluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411779
N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411877
2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121431841
[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea
CID 68805754
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67242843
2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 162687627

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121411960) is N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3c(CO)ccnc3c2-c2ccc(F)nc2)ccn1.
What is the InChIKey of N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is YLAQUPTZBOTKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-11(28)25-16-8-12(4-6-22-16)18-17(13-2-3-15(21)24-9-13)20-19(26-18)14(10-27)5-7-23-20/h2-9,26-27H,10H2,1H3,(H,22,25,28).
What are the key properties of N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 377.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121411960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).