[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone

C23H20FN5O2 — CID 90419497

IUPAC[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4cn[nH]c4)CC3)cc12
InChIInChI=1S/C23H20FN5O2/c1-31-21-3-2-16(24)10-18(21)17-4-7-25-22-19(17)11-20(28-22)14-5-8-29(9-6-14)23(30)15-12-26-27-13-15/h2-5,7,10-13H,6,8-9H2,1H3,(H,25,28)(H,26,27)
InChIKeyOZKYVVFNMFNSCY-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.03
Rot. Bonds4

About [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 90419497) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID90419497
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4cn[nH]c4)CC3)cc12
InChIInChI=1S/C23H20FN5O2/c1-31-21-3-2-16(24)10-18(21)17-4-7-25-22-19(17)11-20(28-22)14-5-8-29(9-6-14)23(30)15-12-26-27-13-15/h2-5,7,10-13H,6,8-9H2,1H3,(H,25,28)(H,26,27)
InChIKeyOZKYVVFNMFNSCY-UHFFFAOYSA-N
XLogP4.03
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 90419497) is [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4cn[nH]c4)CC3)cc12.
What is the InChIKey of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is OZKYVVFNMFNSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-31-21-3-2-16(24)10-18(21)17-4-7-25-22-19(17)11-20(28-22)14-5-8-29(9-6-14)23(30)15-12-26-27-13-15/h2-5,7,10-13H,6,8-9H2,1H3,(H,25,28)(H,26,27).
What are the key properties of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 417.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 90419497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).