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

C25H21FN4O2 — CID 90420556

IUPAC[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4cccnc4)CC3)cc12
InChIInChI=1S/C25H21FN4O2/c1-32-23-5-4-18(26)13-20(23)19-6-10-28-24-21(19)14-22(29-24)16-7-11-30(12-8-16)25(31)17-3-2-9-27-15-17/h2-7,9-10,13-15H,8,11-12H2,1H3,(H,28,29)
InChIKeyNQIAMJFOSGXNDM-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.70
Rot. Bonds4

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

[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone (PubChem CID 90420556) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 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]-pyridin-3-ylmethanone.

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]-pyridin-3-ylmethanone
PubChem CID90420556
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4cccnc4)CC3)cc12
InChIInChI=1S/C25H21FN4O2/c1-32-23-5-4-18(26)13-20(23)19-6-10-28-24-21(19)14-22(29-24)16-7-11-30(12-8-16)25(31)17-3-2-9-27-15-17/h2-7,9-10,13-15H,8,11-12H2,1H3,(H,28,29)
InChIKeyNQIAMJFOSGXNDM-UHFFFAOYSA-N
XLogP4.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
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]-pyridin-3-ylmethanone 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]-pyridin-3-ylmethanone?
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]-pyridin-3-ylmethanone (CID 90420556) is [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone.
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]-pyridin-3-ylmethanone?
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]-pyridin-3-ylmethanone is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4cccnc4)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]-pyridin-3-ylmethanone?
The InChIKey is NQIAMJFOSGXNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-32-23-5-4-18(26)13-20(23)19-6-10-28-24-21(19)14-22(29-24)16-7-11-30(12-8-16)25(31)17-3-2-9-27-15-17/h2-7,9-10,13-15H,8,11-12H2,1H3,(H,28,29).
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]-pyridin-3-ylmethanone?
[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 428.47 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 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]-pyridin-3-ylmethanone is sourced from PubChem (CID 90420556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).