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

C23H24ClF2N5O2 — CID 176811203

IUPAC(6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1cc(F)cnc1N1CCN(C(=O)c2cc3c(C4CCNC4)cc(Cl)c(F)c3[nH]2)CC1
InChIInChI=1S/C23H24ClF2N5O2/c1-33-19-8-14(25)12-28-22(19)30-4-6-31(7-5-30)23(32)18-10-16-15(13-2-3-27-11-13)9-17(24)20(26)21(16)29-18/h8-10,12-13,27,29H,2-7,11H2,1H3
InChIKeyPYUBHPVQUHLTSE-UHFFFAOYSA-N
MW475.93 g/mol
LogP3.54
Rot. Bonds4

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

(6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 176811203) has the molecular formula C23H24ClF2N5O2 and a molecular weight of 475.93 g/mol. Its IUPAC name is (6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID176811203
Molecular FormulaC23H24ClF2N5O2
Molecular Weight475.93 g/mol
Exact Mass475.16
IUPAC Name(6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1cc(F)cnc1N1CCN(C(=O)c2cc3c(C4CCNC4)cc(Cl)c(F)c3[nH]2)CC1
InChIInChI=1S/C23H24ClF2N5O2/c1-33-19-8-14(25)12-28-22(19)30-4-6-31(7-5-30)23(32)18-10-16-15(13-2-3-27-11-13)9-17(24)20(26)21(16)29-18/h8-10,12-13,27,29H,2-7,11H2,1H3
InChIKeyPYUBHPVQUHLTSE-UHFFFAOYSA-N
XLogP3.54
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (CID 176811203) is (6-chloro-7-fluoro-4-pyrrolidin-3-yl-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-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is COc1cc(F)cnc1N1CCN(C(=O)c2cc3c(C4CCNC4)cc(Cl)c(F)c3[nH]2)CC1.
What is the InChIKey of (6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is PYUBHPVQUHLTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N5O2/c1-33-19-8-14(25)12-28-22(19)30-4-6-31(7-5-30)23(32)18-10-16-15(13-2-3-27-11-13)9-17(24)20(26)21(16)29-18/h8-10,12-13,27,29H,2-7,11H2,1H3.
What are the key properties of (6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
(6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 475.93 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 176811203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).