(6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone

C22H23ClF2N4O2 — CID 176811236

IUPAC(6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCCc1cc(Cl)c(F)c2[nH]c(C(=O)N3CCN(c4ncc(F)cc4OC)CC3)cc12
InChIInChI=1S/C22H23ClF2N4O2/c1-3-4-13-9-16(23)19(25)20-15(13)11-17(27-20)22(30)29-7-5-28(6-8-29)21-18(31-2)10-14(24)12-26-21/h9-12,27H,3-8H2,1-2H3
InChIKeyQCGDHDVRIKFOLT-UHFFFAOYSA-N
MW448.90 g/mol
LogP4.42
Rot. Bonds5

About (6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone

(6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 176811236) has the molecular formula C22H23ClF2N4O2 and a molecular weight of 448.90 g/mol. Its IUPAC name is (6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID176811236
Molecular FormulaC22H23ClF2N4O2
Molecular Weight448.90 g/mol
Exact Mass448.15
IUPAC Name(6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCCc1cc(Cl)c(F)c2[nH]c(C(=O)N3CCN(c4ncc(F)cc4OC)CC3)cc12
InChIInChI=1S/C22H23ClF2N4O2/c1-3-4-13-9-16(23)19(25)20-15(13)11-17(27-20)22(30)29-7-5-28(6-8-29)21-18(31-2)10-14(24)12-26-21/h9-12,27H,3-8H2,1-2H3
InChIKeyQCGDHDVRIKFOLT-UHFFFAOYSA-N
XLogP4.42
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.90
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (CID 176811236) is (6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is CCCc1cc(Cl)c(F)c2[nH]c(C(=O)N3CCN(c4ncc(F)cc4OC)CC3)cc12.
What is the InChIKey of (6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is QCGDHDVRIKFOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N4O2/c1-3-4-13-9-16(23)19(25)20-15(13)11-17(27-20)22(30)29-7-5-28(6-8-29)21-18(31-2)10-14(24)12-26-21/h9-12,27H,3-8H2,1-2H3.
What are the key properties of (6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
(6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 448.90 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 176811236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).