[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone

C25H27FN4O2 — CID 22958985

IUPAC[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C25H27FN4O2/c26-20-3-1-19(2-4-20)24-21(17-5-9-27-10-6-17)15-22(29-24)18-7-12-30(13-8-18)25(31)23-16-28-11-14-32-23/h1-6,9-10,15,18,23,28-29H,7-8,11-14,16H2
InChIKeyVFHXHWPVNXOJOY-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.58
Rot. Bonds4

About [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone

[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone (PubChem CID 22958985) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone
PubChem CID22958985
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1
InChIInChI=1S/C25H27FN4O2/c26-20-3-1-19(2-4-20)24-21(17-5-9-27-10-6-17)15-22(29-24)18-7-12-30(13-8-18)25(31)23-16-28-11-14-32-23/h1-6,9-10,15,18,23,28-29H,7-8,11-14,16H2
InChIKeyVFHXHWPVNXOJOY-UHFFFAOYSA-N
XLogP3.58
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone (CID 22958985) is [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone is O=C(C1CNCCO1)N1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1.
What is the InChIKey of [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is VFHXHWPVNXOJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c26-20-3-1-19(2-4-20)24-21(17-5-9-27-10-6-17)15-22(29-24)18-7-12-30(13-8-18)25(31)23-16-28-11-14-32-23/h1-6,9-10,15,18,23,28-29H,7-8,11-14,16H2.
What are the key properties of [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone?
[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 434.52 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 22958985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).